SCHEMBL5739664

SCHEMBL5739664

CCC1CCc2c(sc3cc(C(=O)O)ccc3c2=O)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.42
TNIK Q9UKE5 1/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 4/20 0.41
HPGD P15428 3/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 3/20 0.39
RAB9A P51151 2/20 0.39
AIP O00170 1/20 0.38
SGTA O43765 1/20 0.38
TOMM70 O94826 1/20 0.38
STIP1 P31948 1/20 0.38
PPP5C P53041 1/20 0.38
DNAJC7 Q99615 1/20 0.38
STUB1 Q9UNE7 1/20 0.38
PTPN5 P54829 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL5741515 0.85 THRB (0.39) PTGER4TNIKTHRBALDH1A1MAPT
SCHEMBL5741511 0.85 TNIK (0.39) PTGER4TNIKTHRBALDH1A1MAPT
SCHEMBL6508674 0.84 THRB (0.39) PTGER4TNIKTHRBALDH1A1MAPT
SCHEMBL5740413 0.84 LMNA (0.39) THRBALDH1A1MAPTHPGDGAA
SCHEMBL5739667 0.84 MAPT (0.41) TNIKTHRBALDH1A1MAPTHPGD
SCHEMBL5739368 0.83 MAPT (0.41) TNIKTHRBALDH1A1MAPTHPGD
SCHEMBL5739274 0.82 MAPT (0.38) TNIKTHRBALDH1A1MAPTHPGD
SCHEMBL5738994 0.82 ALDH1A1 (0.43) TNIKTHRBALDH1A1MAPTHPGD
SCHEMBL5738978 0.82 TNIK (0.41) TNIKTHRBALDH1A1MAPTHPGD
SCHEMBL5742318 0.81 TNIK (0.44) TNIKTHRBALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1406891-B1 THIOCHROMENONES USED TO COMBAT PAINFUL CONDITIONS AND NEURODEGENERATIVE DISEASES BAYER HEALTHCARE AG (DE) 2006-03-22 EP disclosed
US-20050009820-A1 Thiochromenones used to combat painful conditions and neurodegenerative diseases BAYER HEALTHCARE AG (DE) 2005-01-13 US disclosed
EP-1406891-A1 THIOCHROMENONES USED TO COMBAT PAINFUL CONDITIONS AND NEURODEGENERATIVE DISEASES Bayer HealthCare AG (DE) 2004-04-14 EP disclosed
WO-2003053955-A1 THIOCHROMENONES USED TO COMBAT PAINFUL CONDITIONS AND NEURODEGENERATIVE DISEASES BAYER HEALTHCARE AG (DE) 2003-07-03 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-20050009820-A1 Thiochromenones used to combat painful conditions and neurodegenerative diseases HTT, HMOX1, SNCA PTGER4 1198/4885TNIK 1874/4885THRB 1861/4885

“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.