SCHEMBL1800477

SCHEMBL1800477

Cc1ccc(-c2csc(C(=O)O)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALAD P13716 2/20 0.69
DAO P14920 3/20 0.60
MMP12 P39900 5/20 0.52
ALDH1A1 P00352 2/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MCL1 Q07820 1/20 0.47
MMP13 P45452 2/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
IKBKE Q14164 1/20 0.41
TBK1 Q9UHD2 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
ALPL P05186 1/20 0.40
DHODH Q02127 1/20 0.40

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
SCHEMBL6869311 0.83 DAO (0.62) ALADDAOMMP12ALDH1A1HDAC6
SCHEMBL6450949 0.83 ALAD (0.71) ALADDAOMMP12ALDH1A1HDAC6
SCHEMBL505511 0.82 ALAD (0.70) ALADDAOMMP12HDAC6MMP13
SCHEMBL6142371 0.82 ALAD (0.65) ALADDAOMMP12ALDH1A1HDAC6
SCHEMBL6142253 0.81 ALAD (0.69) ALADDAOMMP12ALDH1A1HDAC6
SCHEMBL6143622 0.81 ALAD (0.69) ALADDAOMMP12HDAC6MMP13
SCHEMBL2652069 0.81 ALAD (1.00) ALADDAOMMP12HDAC6MMP13
SCHEMBL6142121 0.81 ALAD (1.00) ALADDAOMMP12ALDH1A1HDAC6
SCHEMBL3625585 0.81 ALAD (0.69) ALADDAOMMP12HDAC6MMP13
SCHEMBL27261591 0.81 DAO (0.59) ALADDAOMMP12ALDH1A1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103842332-B Cyclopropylamine compound 武田药品工业株式会社 2016-08-17 CN disclosed
US-7951794-B2 Thiophene derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-31 US disclosed
US-20100075946-A1 NOVEL THIOPHENE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-03-25 US disclosed
EP-1896446-A1 NOVEL THIOPHENE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-03-12 EP disclosed
WO-2006137019-A1 NOVEL THIOPHENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2006-12-28 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 (1 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-20100075946-A1 NOVEL THIOPHENE DERIVATIVES TPMT, TSLP, NFATC1 ALAD 3535/4885DAO 4154/4885MMP12 1396/4885

“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.