SCHEMBL3173845

SCHEMBL3173845

Cc1cc(OCc2ccccc2)ccc1COS(C)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.52
S1PR5 Q9H228 1/20 0.52
MAOB P27338 10/20 0.49
MAOA P21397 4/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
PKM P14618 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
AR P10275 2/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ACHE P22303 1/20 0.47
ALOX5 P09917 1/20 0.46
FFAR1 O14842 1/20 0.46
CA12 O43570 1/20 0.46

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
SCHEMBL5936680 0.89 S1PR1 (0.42) S1PR1S1PR5MAOBMAOANPC1
SCHEMBL6495585 0.82 ALDH1A1 (0.42) PKML3MBTL1HPGDSMN1; SMN2CA12
SCHEMBL12158512 0.82 S1PR1 (0.59) S1PR1S1PR5MAOBMAOANPC1
SCHEMBL15275222 0.82 MAOB (0.56) S1PR1S1PR5MAOBMAOANPC1
SCHEMBL874437 0.81 AR (0.62) MAOBMAOANPC1RAB9AL3MBTL1
SCHEMBL2617478 0.80 MAOB (0.57) MAOBMAOANPC1RAB9AAR
SCHEMBL24372036 0.78 MAOB (0.56) S1PR1S1PR5MAOBMAOANPC1
SCHEMBL695873 0.78 S1PR1 (0.57) S1PR1S1PR5MAOBMAOANPC1
SCHEMBL696249 0.78 S1PR1 (0.54) S1PR1S1PR5MAOBMAOANPC1
SCHEMBL5373770 0.78 AR (0.55) MAOBNPC1RAB9AARHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1544208-B1 PYRAZOLE DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF KISSEI PHARMACEUTICAL (JP) 2010-05-26 EP disclosed
US-7655632-B2 Pyrazole derivative, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-02-02 US disclosed
US-20080312153-A1 PYRAZOLE DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-7375087-B2 Pyrazole derivative, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-05-20 US disclosed
US-20060166899-A1 Pyrazole derivative, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-07-27 US disclosed
EP-1544208-A1 PYRAZOLE DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2005-06-22 EP 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 (2 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-20060166899-A1 Pyrazole derivative, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof SLC5A1, SLC5A2, SULT2A1 S1PR1 896/4885S1PR5 1136/4885MAOB 1514/4885
US-20080312153-A1 PYRAZOLE DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF SLC5A1, SLC5A2, SULT2A1 S1PR1 896/4885S1PR5 1136/4885MAOB 1514/4885

“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.