SCHEMBL2374420

SCHEMBL2374420

COc1cccc(C(C(=O)c2ccccc2)=C(SC)SC)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.62
NPC1 O15118 4/20 0.62
ALDH1A1 P00352 3/20 0.62
MAPT P10636 2/20 0.62
XBP1 P17861 2/20 0.62
MAPK1 P28482 2/20 0.62
NPSR1 Q6W5P4 2/20 0.62
PKM P14618 1/20 0.62
CES2 O00748 2/20 0.60
CES1 P23141 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.56
PARP1 P09874 1/20 0.53
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
KCNK3 O14649 1/20 0.50
KCNK9 Q9NPC2 1/20 0.50
MAOB P27338 1/20 0.50
NLRP3 Q96P20 1/20 0.49
LMNA P02545 1/20 0.49
MTNR1A P48039 2/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9647505 0.82 CES2 (0.89) RAB9ANPC1ALDH1A1MAPTXBP1
SCHEMBL2376839 0.82 MAPT (0.58) RAB9ANPC1ALDH1A1MAPTXBP1
SCHEMBL2156482 0.76 CES2 (1.00) RAB9ANPC1ALDH1A1MAPTXBP1
SCHEMBL29610859 0.76 CES2 (1.00) RAB9ANPC1ALDH1A1MAPTXBP1
SCHEMBL755443 0.75 MEN1 (0.69) RAB9ANPC1ALDH1A1MAPK1CES2
SCHEMBL30414806 0.75 MEN1 (0.69) RAB9ANPC1ALDH1A1MAPK1CES2
SCHEMBL2682408 0.75 CES2 (0.81) RAB9ANPC1ALDH1A1MAPTXBP1
SCHEMBL31020261 0.75 CES2 (0.74) RAB9ANPC1ALDH1A1MAPTNPSR1
SCHEMBL30542256 0.75 CES2 (0.68) RAB9ANPC1ALDH1A1CES2CES1
SCHEMBL29351426 0.75 CES2 (0.74) RAB9ANPC1PKMCES2CES1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3342767-B1 PYRAZOLYL SUBSTITUTED CARBONIC ACID DERIVATIVES AS MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2021-04-14 EP disclosed
US-20200392123-A1 PYRAZOLYL SUBSTITUTED CARBONIC ACID DERIVATIVES AS MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2020-12-17 US disclosed
US-10689372-B2 Pyrazolyl substituted carbonic acid derivatives as modulators of the prostacyclin (PGI2) receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2020-06-23 US disclosed
US-20190270731-A1 PYRAZOLYL SUBSTITUTED CARBONIC ACID DERIVATIVES AS MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2019-09-05 US disclosed
EP-3342767-A1 PYRAZOLYL SUBSTITUTED CARBONIC ACID DERIVATIVES AS MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2018-07-04 EP disclosed
US-20180030039-A1 PYRAZOLYL SUBSTITUTED CARBONIC ACID DERIVATIVES AS MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2018-02-01 US disclosed
US-9663500-B2 Pyrazolyl substituted carbonic acid derivatives as modulators of the prostacyclin (PGI2) receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20150191455-A1 PYRAZOLYL SUBSTITUTED CARBONIC ACID DERIVATIVES AS MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2015-07-09 US disclosed
US-9012478-B2 Pyrazolyl substituted carbonic acid derivatives as modulators of the prostacyclin (PGI2) receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2015-04-21 US disclosed
US-20140171469-A1 PYRAZOLYL SUBSTITUTED CARBONIC ACID DERIVATIVES AS MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2014-06-19 US disclosed
EP-2367797-A1 PYRAZOLYL SUBSTITUTED CARBONIC ACID DERIVATIVES AS MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2011-09-28 EP disclosed
US-20110224262-A1 PYRAZOLYL SUBSTITUTED CARBONIC ACID DERIVATIVES AS MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2011-09-15 US disclosed
WO-2010068242-A1 PYRAZOLYL SUBSTITUTED CARBONIC ACID DERIVATIVES AS MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2010-06-17 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110224262-A1 PYRAZOLYL SUBSTITUTED CARBONIC ACID DERIVATIVES AS MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO PTGIR, PTGIS, PTGER1 RAB9A 3446/4885NPC1 1741/4885ALDH1A1 737/4885
US-20150191455-A1 PYRAZOLYL SUBSTITUTED CARBONIC ACID DERIVATIVES AS MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO PTGIR, PTGIS, PTGER1 RAB9A 3446/4885NPC1 1741/4885ALDH1A1 737/4885
US-20140171469-A1 PYRAZOLYL SUBSTITUTED CARBONIC ACID DERIVATIVES AS MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO PTGIR, PTGIS, PTGER1 RAB9A 3446/4885NPC1 1741/4885ALDH1A1 737/4885
US-10689372-B2 Pyrazolyl substituted carbonic acid derivatives as modulators of the prostacyclin (PGI2) receptor useful for the treatment of disorders related thereto PTGIR, PTGIS, PTGER1 RAB9A 3446/4885NPC1 1741/4885ALDH1A1 737/4885
US-20200392123-A1 PYRAZOLYL SUBSTITUTED CARBONIC ACID DERIVATIVES AS MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO PTGIR, PTGIS, PTGER1 RAB9A 3446/4885NPC1 1741/4885ALDH1A1 737/4885
US-20180030039-A1 PYRAZOLYL SUBSTITUTED CARBONIC ACID DERIVATIVES AS MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO PTGIR, PTGIS, PTGER1 RAB9A 3446/4885NPC1 1741/4885ALDH1A1 737/4885
US-20190270731-A1 PYRAZOLYL SUBSTITUTED CARBONIC ACID DERIVATIVES AS MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO PTGIR, PTGIS, PTGER1 RAB9A 3446/4885NPC1 1741/4885ALDH1A1 737/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.