SCHEMBL205332

SCHEMBL205332

CCCCCOc1ccc(N(C)c2nc(C(=O)Nc3cccnc3)cs2)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 3/20 0.45
NOTUM Q6P988 1/20 0.41
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
S1PR1 P21453 2/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
MAPT P10636 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
TSHR P16473 2/20 0.39
RAF1 P04049 1/20 0.39
MAPK1 P28482 2/20 0.39
LRRK2 Q5S007 1/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
TRPV1 Q8NER1 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
SCHEMBL207135 0.91 SGMS2 (0.44) SGMS2NOTUMPIM1PIM3S1PR1
SCHEMBL5429240 0.89 SGMS2 (0.43) SGMS2NOTUMPIM1PIM3S1PR1
SCHEMBL206124 0.87 S1PR1 (0.45) S1PR1THRATHRBMAPTRAF1
SCHEMBL205489 0.85 S1PR1 (0.42) S1PR1THRATHRBMAPTRAF1
SCHEMBL204820 0.83 SGMS2 (0.47) SGMS2NOTUMPIM1PIM3S1PR1
SCHEMBL207998 0.83 THRA (0.48) S1PR1THRATHRB
SCHEMBL10190559 0.82 S1PR1 (0.40) S1PR1THRATHRBMAPTRAF1
SCHEMBL205980 0.82 NPC1 (0.52) S1PR1THRATHRBMAPTTSHR
SCHEMBL206332 0.79 IRAK4 (0.56) S1PR1MAPTMAPK1NPC1LMNA
SCHEMBL4655611 0.77 S1PR1 (0.41) SGMS2NOTUMS1PR1THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2460800-A1 Substituted aminothiazole derivatives with anti-HCV activity Achillion Pharmaceuticals, Inc. (US) 2012-06-06 EP disclosed
EP-2460800-A1 Substituted aminothiazole derivatives with anti-HCV activity Achillion Pharmaceuticals, Inc. (US) 2012-06-06 EP disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-20070213301-A1 Substituted Aminothiazole Derivatives With Anti-HCV Activity ACHILLION PHARMACEUTICALS, INC. (US) 2007-09-13 US disclosed
US-20070213301-A1 Substituted Aminothiazole Derivatives With Anti-HCV Activity ACHILLION PHARMACEUTICALS, INC. (US) 2007-09-13 US disclosed
US-20070213301-A1 Substituted Aminothiazole Derivatives With Anti-HCV Activity ACHILLION PHARMACEUTICALS, INC. (US) 2007-09-13 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US 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 (3 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-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE PIGS, CPT1A, SLC10A1 SGMS2 4408/4885NOTUM 2902/4885PIM1 1773/4885
US-20070213301-A1 Substituted Aminothiazole Derivatives With Anti-HCV Activity EIF2AK2, BCAT1, IL4I1 SGMS2 4750/4885NOTUM 2412/4885PIM1 2190/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 SGMS2 4408/4885NOTUM 2902/4885PIM1 1773/4885

“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.