SCHEMBL4875683

SCHEMBL4875683

CCOC(=O)c1cnc(Oc2cccc(Cl)c2)s1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
P2RX3 P56373 6/20 0.50
CDC7 O00311 1/20 0.46
DBF4 Q9UBU7 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ICAM1 P05362 2/20 0.42
SELE P16581 2/20 0.42
VCAM1 P19320 1/20 0.42
MAOB P27338 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL9381994 0.85 P2RX3 (0.62) CYP1A2P2RX3CDC7DBF4TRPM8
SCHEMBL1680800 0.85 CDC7 (0.52) CYP1A2CYP2C9CYP2C19P2RX3CDC7
SCHEMBL18974750 0.78 NPC1 (0.68) CYP1A2CYP2C9CYP2C19CDC7DBF4
SCHEMBL28854670 0.78 CDC7 (0.47) CYP2C9P2RX3CDC7DBF4TRPM8
SCHEMBL1657766 0.77 GRM5 (0.52) CYP2C9CDC7DBF4TRPM8ALDH1A1
SCHEMBL8724307 0.76 L3MBTL1 (0.57) CYP1A2CYP2C9CYP2C19P2RX3TRPM8
SCHEMBL3454297 0.75 CYP1A2 (0.62) CYP1A2CYP2C9CYP2C19ALDH1A1HTT
SCHEMBL5943008 0.74 ICAM1 (0.51) MAPTKMT2ASMN1; SMN2ICAM1SELE
SCHEMBL23179999 0.73 CDC7 (0.56) P2RX3CDC7DBF4ALDH1A1MAPT
SCHEMBL4886054 0.73 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof PAH, TST, MPST CYP1A2 1346/4885CYP2C9 1002/4885CYP2C19 1358/4885

“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.