SCHEMBL7093856

SCHEMBL7093856

O=C(S)C1=CC(CF)(CF)Oc2ccc(C(F)(F)F)cc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
CES2 O00748 2/20 0.32
CTNNB1 P35222 1/20 0.31
WNT3A P56704 1/20 0.31
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
RAD52 P43351 1/20 0.30
ATM Q13315 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
USP2 O75604 1/20 0.30
CYP2C19 P33261 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL6270480 0.90 PTGS1 (0.38) PTGDR2PTGS1PTGS2CES2PIM1
SCHEMBL6557433 0.88 ALDH1A1 (0.33) PTGDR2PTGS1PTGS2CES2PIM1
SCHEMBL6557451 0.88 PTGDR2 (0.33) PTGDR2PTGS1PTGS2CES2CTNNB1
SCHEMBL7094132 0.85 CFTR (0.41) PTGDR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8312959 0.85 KDM4E (0.35) KDM4EALDH1A1TRPV1CYP2C19CYP2C9
SCHEMBL7093857 0.84 CHRM1 (0.33) PTGDR2PTGS1PTGS2
SCHEMBL6268789 0.83 HIF1A (0.36) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL7091070 0.81 ALDH1A1 (0.46) ALDH1A1MEN1KMT2A
SCHEMBL8897866 0.81 PTGS1 (0.37) PTGDR2PTGS1PTGS2CES2PIM1
SCHEMBL8315164 0.80 CTSL (0.32)

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-20030065189-A1 Processes for producing 4-substituted benzopyran derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-04-03 US disclosed
US-6455708-B1 SUCH AS 2,2-BIS(FLUOROMETHYL)-N-(2-CYANOETHYL)-6-TRIFLUOROMETHYL-2H-1-BENZOPYRAN-4 -CARBOXAMIDE; USEFUL AS MEDICINES, AGRICHEMICALS AND COSMETICS, AND CHEMICAL INTERMEDIATES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-09-24 US disclosed
EP-1120412-A1 PROCESSES FOR THE PREPARATION OF 4-SUBSTITUTED BENZOPYRAN DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-08-01 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-20030065189-A1 Processes for producing 4-substituted benzopyran derivatives CYP3A4, PARP14, BTD PTGDR2 4316/4885PTGS1 3777/4885PTGS2 2826/4885

“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.