SCHEMBL2474796

SCHEMBL2474796

CCOC(=O)C(C(=O)c1ccccc1)c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MMP8 P22894 1/20 0.44
PIN1 Q13526 1/20 0.44
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL1432886 0.86 MMP8 (0.45) NPC1MEN1KMT2AMMP8PIN1
Hydrochloric Acid SCHEMBL28191013 0.83 MMP8 (0.43) NPC1MEN1KMT2AMMP8PIN1
SCHEMBL12264634 0.83 MMP8 (0.43) NPC1MEN1KMT2AMMP8PIN1
SCHEMBL6317495 0.82 MMP8 (0.42) KMT2AMMP8PIN1ALDH1A1HPGD
SCHEMBL26066472 0.82 ALDH1A1 (0.45) NPC1KMT2AMMP8PIN1ALDH1A1
Pyridine SCHEMBL28854067 0.81 MMP8 (0.42) NPC1MEN1KMT2AMMP8PIN1
SCHEMBL7095776 0.81 MMP8 (0.46) NPC1MEN1KMT2AMMP8PIN1
SCHEMBL369889 0.80 TRPM8 (0.39) NPC1MEN1KMT2AALDH1A1HPGD
SCHEMBL5145181 0.79 ALDH1A1 (0.40) MEN1KMT2AMMP8PIN1ALDH1A1
SCHEMBL6908528 0.79 MMP8 (0.64) NPC1MEN1KMT2AMMP8PIN1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200385357-A1 SUBSTITUTED PYRIDAZINES AND 1,2,4-TRIAZINES AS PROSTACYCLIN RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2020-12-10 US disclosed
US-10793529-B2 Substituted pyridazines and 1,2,4-triazines as prostacyclin receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2020-10-06 US disclosed
US-20190248749-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2019-08-15 US disclosed
US-10138210-B2 Substituted pyridazines as prostacyclin receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2018-11-27 US disclosed
US-20170057931-A1 Substituted pyridazines as prostacyclin receptor modulators ARENA PHARMACEUTICALS, INC. 2017-03-02 US disclosed
EP-2370413-B1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2015-08-05 EP disclosed
US-20150191454-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC, 2015-07-09 US disclosed
US-8940891-B2 Modulators of the prostacyclin (PGI2) receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2015-01-27 US disclosed
US-20110245251-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2011-10-06 US disclosed
EP-2370413-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2011-10-05 EP disclosed
WO-2010077275-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2010-07-08 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-10793529-B2 Substituted pyridazines and 1,2,4-triazines as prostacyclin receptor modulators PTGIR, PTGIS, TBXA2R NPC1 2403/4885MEN1 3891/4885KMT2A 4752/4885
US-10138210-B2 Substituted pyridazines as prostacyclin receptor modulators PTGIR, PTGIS, PTGER1 NPC1 2651/4885MEN1 3601/4885KMT2A 4709/4885
US-20110245251-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO PTGIR, PTGIS, PTGER1 NPC1 1539/4885MEN1 3537/4885KMT2A 4817/4885
US-20170057931-A1 Substituted pyridazines as prostacyclin receptor modulators PTGIR, PTGIS, PTGER1 NPC1 2651/4885MEN1 3601/4885KMT2A 4709/4885
US-20190248749-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO PTGIR, PTGIS, PTGER1 NPC1 1542/4885MEN1 3535/4885KMT2A 4815/4885
US-20150191454-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO PTGIR, PTGIS, PTGER1 NPC1 1539/4885MEN1 3537/4885KMT2A 4817/4885
US-20200385357-A1 SUBSTITUTED PYRIDAZINES AND 1,2,4-TRIAZINES AS PROSTACYCLIN RECEPTOR MODULATORS PTGIR, PTGIS, TBXA2R NPC1 2403/4885MEN1 3891/4885KMT2A 4752/4885

“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.