SCHEMBL26804182

SCHEMBL26804182

CCC(=O)Nc1ccccc1SC=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 2/20 0.51
▸ ITGB3 P05106 1/20 0.46
▸ ITGAV P06756 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ HPGD P15428 6/20 0.43
▸ LMNA P02545 4/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ ATM Q13315 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ HTT P42858 1/20 0.43
▸ MAPT P10636 3/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42

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
SCHEMBL28346162 0.83 CETP (0.54) CETPITGB3ITGAVALDH1A1SMN1; SMN2
SCHEMBL13212281 0.83 CETP (0.71) CETPITGB3ITGAVALDH1A1SMN1; SMN2
SCHEMBL8619629 0.78 MAPK1 (0.60) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL5542638 0.75 ALDH1A1 (0.53) CETPALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL3820575 0.75 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
Formic Acid SCHEMBL28311850 0.73 GAA (0.51) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL17444748 0.73 PARP14 (0.63) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL637659 0.72 HDAC3 (0.49) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL1818573 0.72 HPGD (0.68) ITGB3ITGAVALDH1A1SMN1; SMN2NPC1
SCHEMBL3022920 0.72 HDAC3 (0.65) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230381327-A1 REACTIVE CONJUGATES DEBIOPHARM RESEARCH & MANUFACTURING S.A. (CH) 2023-11-30 — — 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-20230381327-A1 REACTIVE CONJUGATES FCGR3B, FCGR1A, FCGR2A CETP 1226/4885ITGB3 530/4885ITGAV 402/4885

“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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