SCHEMBL4886797

SCHEMBL4886797

Cc1cccc(CC(N)=S)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.52
IDO1 P14902 2/20 0.50
CTBP2 P56545 1/20 0.49
POLB P06746 1/20 0.47
CYP1A2 P05177 1/20 0.47
MAPK8 P45983 1/20 0.46
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
PARP1 P09874 1/20 0.42
ACHE P22303 1/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NR3C2 P08235 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL10444497 0.82 CTBP2 (0.54) TAAR1IDO1CTBP2POLBALDH1A1
SCHEMBL30468689 0.80 HTR3E (0.61) TAAR1IDO1CTBP2POLBMAPK8
SCHEMBL19266040 0.80 TAAR1 (0.52) TAAR1IDO1CTBP2POLBMAPK8
SCHEMBL7222240 0.80 CTBP2 (0.49) TAAR1IDO1CTBP2POLBALDH1A1
SCHEMBL1985821 0.80 CTBP2 (0.57) TAAR1IDO1CTBP2POLBMAPK8
SCHEMBL8203794 0.80 HTR3E (0.61) TAAR1IDO1CTBP2POLBMAPK8
Hydrochloric Acid SCHEMBL213051 0.78 HTR3E (0.59) TAAR1IDO1CTBP2POLBMAPK8
SCHEMBL1580469 0.77 CTBP2 (0.58) TAAR1IDO1CTBP2POLBMAPK8
SCHEMBL1580471 0.77 CTBP2 (0.58) TAAR1IDO1CTBP2POLBMAPK8
SCHEMBL27619612 0.77 CTBP2 (0.53) TAAR1IDO1CTBP2POLBACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO claimed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF ARYL THERAPEUTICS, INC. 2023-09-21 US disclosed
EP-2530078-A1 THIAZOLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2012-12-05 EP disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-16 US disclosed
US-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-16 US disclosed
US-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-16 US disclosed
EP-1742942-A1 PHENYLTHIOACETIC ACID DERIVATIVES AND USE THEREOF Bayer HealthCare AG (DE) 2007-01-17 EP disclosed
WO-2005097784-A1 PHENYLTHIOACETIC ACID DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2005-10-20 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 (4 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-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS TAAR1 3965/4885IDO1 911/4885CTBP2 1362/4885
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 TAAR1 190/4885IDO1 244/4885CTBP2 2106/4885
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 TAAR1 190/4885IDO1 244/4885CTBP2 2106/4885
US-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof PAH, TST, MPST TAAR1 1842/4885IDO1 3672/4885CTBP2 4139/4885

“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.