SCHEMBL25753461

SCHEMBL25753461

Cc1ncsc1C(=O)/C=C/c1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.49
CYP1A1 P04798 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP1B1 Q16678 1/20 0.48
NQO2 P16083 1/20 0.48
GUSB P08236 1/20 0.47
ABCG2 Q9UNQ0 2/20 0.45
PYGL P06737 7/20 0.45
PKM P14618 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CXCL12 P48061 1/20 0.43
MAPT P10636 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL25753458 0.85 MAPT (0.55) PTGS2CYP1A2CYP3A4PKMKDM4E
SCHEMBL25753457 0.83 MAOB (0.53) CYP1A1CYP1A2CYP3A4CYP2D6CYP1B1
SCHEMBL26248943 0.82 MAPT (0.54) CYP1A1CYP3A4CYP1B1PKMKDM4E
SCHEMBL25753464 0.82 PTGS2 (0.49) PTGS2CYP1A1CYP1A2CYP1B1PKM
SCHEMBL28497749 0.81 JAK2 (0.56) CYP3A4CYP2D6ABCG2PKMKDM4E
SCHEMBL26248945 0.80 MAOA (0.52) CYP1A1CYP1A2CYP2D6CYP1B1PKM
SCHEMBL25753656 0.80 KDM4E (0.51) PKMKDM4EMAPTNPC1RAB9A
SCHEMBL25753449 0.79 MAPT (0.57) CYP1A2CYP3A4CYP2D6CYP1B1NQO2
SCHEMBL25753450 0.78 F3 (0.57) CYP1A1CYP1A2CYP3A4CYP2D6CYP1B1
SCHEMBL25753466 0.77 MAPT (0.55) CYP3A4CYP1B1NQO2PKMKDM4E

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-20230277508-A1 USE OF COMPOUND AS CYP2E1 INHIBITOR Shanghai Ling Xi Biotechnology Development Co., Ltd. (CN) 2023-09-07 US disclosed
US-20230277508-A1 USE OF COMPOUND AS CYP2E1 INHIBITOR Shanghai Ling Xi Biotechnology Development Co., Ltd. (CN) 2023-09-07 US disclosed
EP-4205741-A1 USE OF COMPOUND AS CYP2E1 INHIBITOR Shanghai Ling Xi Biotechnology Development Co., Ltd. (CN) 2023-07-05 EP 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-20230277508-A1 USE OF COMPOUND AS CYP2E1 INHIBITOR CYP2E1, CYP11B1, CYP27A1 PTGS2 90/4885CYP1A1 33/4885CYP1A2 49/4885

“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.