SCHEMBL25753464

SCHEMBL25753464

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.49
CYP1A1 P04798 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP1B1 Q16678 1/20 0.48
MAOA P21397 3/20 0.43
MAOB P27338 3/20 0.43
TNFRSF1A P19438 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
NFE2L2 Q16236 1/20 0.42
NTSR1 P30989 1/20 0.40
TUBB1 Q9H4B7 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
JAK2 O60674 1/20 0.38
EGFR P00533 1/20 0.38
ALOX5 P09917 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38

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 0.82 MAPT (0.55) PTGS2CYP1A2MAOAMAOBKDM4E
SCHEMBL26248943 0.82 MAPT (0.54) CYP1A1CYP1B1MAOAMAOBKDM4E
SCHEMBL25753461 0.82 PTGS2 (0.49) PTGS2CYP1A1CYP1A2CYP1B1KDM4E
SCHEMBL28497749 0.81 JAK2 (0.56) MAOAMAOBKDM4EPKMALDH1A1
SCHEMBL25753457 0.81 MAOB (0.53) CYP1A1CYP1A2CYP1B1MAOAMAOB
SCHEMBL26248945 0.80 MAOA (0.52) CYP1A1CYP1A2CYP1B1MAOAMAOB
SCHEMBL25753449 0.79 MAPT (0.57) CYP1A2CYP1B1MAOAMAOBTNFRSF1A
SCHEMBL25753450 0.78 F3 (0.57) CYP1A1CYP1A2CYP1B1MAOAMAOB
SCHEMBL25753466 0.77 MAPT (0.55) CYP1B1KDM4EPKMALDH1A1LMNA
SCHEMBL25753656 0.77 KDM4E (0.51) KDM4EPKMALDH1A1LMNAMAPT

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.