SCHEMBL18780754

SCHEMBL18780754

Cc1ccc(N)cc1N[SH](=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.46
▸ CASP1 P29466 5/20 0.45
▸ TSHR P16473 3/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ RECQL P46063 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ BCR P11274 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ DDX3X O00571 1/20 0.35
▸ PLA2G7 Q13093 1/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34

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
SCHEMBL15087203 0.84 MAPT (0.47) ALDH1A1CASP1TSHRCYP3A4RECQL
SCHEMBL15919625 0.79 GAA (0.50) ALDH1A1TSHRKDM4ELMNACYP1A2
SCHEMBL15087198 0.76 RAPGEF4 (0.50) ALDH1A1TSHRMAPTKDM4ELMNA
SCHEMBL293258 0.74 ALDH1A1 (0.54) ALDH1A1CASP1TSHRCYP3A4RECQL
SCHEMBL29633200 0.74 ALDH1A1 (0.54) ALDH1A1CASP1TSHRCYP3A4RECQL
SCHEMBL12065127 0.72 ALDH1A1 (0.52) ALDH1A1CASP1TSHRCYP3A4RECQL
Hydrochloric Acid SCHEMBL11438180 0.72 ALDH1A1 (0.52) ALDH1A1CASP1TSHRCYP3A4RECQL
SCHEMBL22778507 0.72 ALDH1A1 (0.52) ALDH1A1CASP1TSHRCYP3A4RECQL
Hydrochloric Acid SCHEMBL11453440 0.72 ALDH1A1 (0.52) ALDH1A1CASP1TSHRCYP3A4RECQL
SCHEMBL11289487 0.72 MAPT (0.51) ALDH1A1CASP1TSHRCYP3A4PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020238220-A1 METHOD FOR PREPARING PAZOPANIB HYDROCHLORIDE 济南爱思医药科技有限公司 2020-12-03 — — WO claimed
US-20170114025-A1 METHODS FOR INHIBITING NECROPTOSIS CATALYST THERAPEUTICS PTY LTD (AU) 2017-04-27 — — 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-20170114025-A1 METHODS FOR INHIBITING NECROPTOSIS RIPK1, RIPK3, RIPK2 ALDH1A1 4794/4885CASP1 16/4885TSHR 4307/4885

“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.

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