SCHEMBL4886054

SCHEMBL4886054

OCc1cnc(Oc2cccc(Cl)c2)s1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RHEB Q15382 2/20 0.40
WDR5 P61964 1/20 0.40
ICAM1 P05362 1/20 0.39
SELE P16581 1/20 0.39
VCAM1 P19320 1/20 0.39
MAPT P10636 2/20 0.39
FKBP1A P62942 1/20 0.39
HDAC6 Q9UBN7 1/20 0.37
CYP2D6 P10635 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4885920 0.87 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19ALDH1A1L3MBTL1
SCHEMBL1680662 0.82 MLYCD (0.51) CYP1A2CYP2C19ALDH1A1MAPTLMNA
SCHEMBL4875683 0.73 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19ALDH1A1L3MBTL1
SCHEMBL29924283 0.68 RHEB (0.52) CYP1A2CYP2C9CYP2C19ALDH1A1RHEB
SCHEMBL6206121 0.68 RHEB (0.52) CYP1A2CYP2C9CYP2C19ALDH1A1RHEB
SCHEMBL2096242 0.67 WDR5 (0.59) WDR5FKBP1ACYP2D6KMT2ALMNA
SCHEMBL7370543 0.67 MEN1 (0.58) CYP1A2CYP2C9CYP2C19ALDH1A1L3MBTL1
SCHEMBL16890555 0.66 RHEB (0.50) CYP1A2CYP2C9CYP2C19ALDH1A1RHEB
SCHEMBL1680970 0.66 SLC8A1 (0.53) CYP1A2CYP2C19ALDH1A1MAPTLMNA
SCHEMBL2667405 0.66 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19L3MBTL1WDR5

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.