SCHEMBL6739718

SCHEMBL6739718

O=S(=O)(Oc1ccc2c(-c3cccnc3)coc2c1)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.48
PIN1 Q13526 1/20 0.47
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 6/20 0.41
MAPT P10636 5/20 0.41
NPC1 O15118 6/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 2/20 0.41
TP53 P04637 2/20 0.41
CYP3A4 P08684 1/20 0.41
POLB P06746 3/20 0.39
MAPK1 P28482 2/20 0.39
GAA P10253 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
STAT1 P42224 1/20 0.39
CASP3 P42574 1/20 0.39

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
SCHEMBL761455 0.84 NPC1 (0.55) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL16372524 0.79 STS (0.76) STSPIN1ALDH1A1KDM4EMAPT
SCHEMBL17740855 0.79 STS (0.58) STSALDH1A1KDM4EMAPTNPC1
SCHEMBL6981957 0.77 CA1 (0.40) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL1805795 0.77 CYP11B1 (0.48) ALDH1A1KDM4EHPGDCYP3A4PTGS1
SCHEMBL1806097 0.75 ERN1 (0.47) ALDH1A1MAPTHPGDCYP3A4CYP11B1
SCHEMBL6740241 0.75 ACVR1 (0.48) PIN1ALDH1A1KDM4EMAPTNPC1
SCHEMBL18872545 0.75 STS (0.66) STSALDH1A1KDM4EMAPTNPC1
SCHEMBL9172136 0.75 CA1 (0.51) ALDH1A1CYP3A4CYP11B1CYP11B2CYP17A1
SCHEMBL6741783 0.75 CYP19A1 (0.49) PIN1ALDH1A1MEN1CYP3A4CYP11B1

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-6689798-B2 STEROID ALPHA-HYDROXYLASE AND STEROID LYASE INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-02-10 US disclosed
US-20030149079-A1 Novel benzofuran derivatives DAIICHI PHARMACEUTICAL CO., LTD. 2003-08-07 US disclosed
EP-1283208-A1 NOVEL BENZOFURAN DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-02-12 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-20030149079-A1 Novel benzofuran derivatives CYP17A1, CYP21A2, HSD17B7 STS 38/4885PIN1 585/4885ALDH1A1 119/4885

“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.