SCHEMBL6135928

SCHEMBL6135928

Fc1cc(N=C(c2ccccc2)c2ccccc2)ccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 6/20 0.44
▸ ESR2 Q92731 6/20 0.44
▸ HTR3E A5X5Y0 2/20 0.41
▸ HTR3B O95264 2/20 0.41
▸ HTR3A P46098 2/20 0.41
▸ HTR3D Q70Z44 2/20 0.41
▸ HTR3C Q8WXA8 2/20 0.41
▸ KIF11 P52732 4/20 0.40
▸ CYP11B2 P19099 2/20 0.39
▸ TRPM8 Q7Z2W7 1/20 0.38
▸ IDO1 P14902 1/20 0.37
▸ TDO2 P48775 1/20 0.37
▸ CYP11B1 P15538 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ KDM1A O60341 1/20 0.34

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
SCHEMBL8586278 0.79 MAPT (0.50) ESR1ESR2HTR3EHTR3BHTR3A
SCHEMBL30402030 0.76 ESR1 (0.40) ESR1ESR2HTR3EHTR3BHTR3A
SCHEMBL29220712 0.74 HTR3E (0.55) ESR1ESR2HTR3EHTR3BHTR3A
SCHEMBL31231692 0.73 KMO (0.36) ESR1ESR2HTR3EHTR3BHTR3A
SCHEMBL24399684 0.73 CYP3A4 (0.44) ESR1ESR2HTR3EHTR3BHTR3A
SCHEMBL30946402 0.71 ESR1 (0.34) ESR1ESR2HTR3EHTR3BHTR3A
SCHEMBL29893557 0.71 AR (0.52) —
SCHEMBL18745655 0.71 OPRD1 (0.37) ESR1ESR2IDO1TDO2
SCHEMBL6547544 0.70 ESR1 (0.50) ESR1ESR2IDO1
SCHEMBL31284304 0.70 NOTUM (0.42) ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385495-A4 SULFONAMIDES SMITHKLINE BEECHAM CORP (US) 2005-12-21 — — EP disclosed
EP-1399137-A4 SULFONAMIDES SMITHKLINE BEECHAM CORP (US) 2005-12-14 — — EP disclosed
US-20050043536-A1 antagonists of urotensin II; for example, 2,6-Dichloro-N-[3-(dimethylamino-ethoxy)4-trifluoromethyl-phenyl]-4trifluoromethyl-benzenesulfonamide SMITHKLINE BEECHAM CORPORATION 2005-02-24 — — US disclosed
US-6849635-B2 Sulfonamides SMITHKLINE BEECHAM CORPORATION (US) 2005-02-01 — — US disclosed
US-20040152893-A1 Sulfonamides SMITHKLINE BEECHAM CORPORATION 2004-08-05 — — US disclosed
EP-1399137-A1 SULFONAMIDES SmithKline Beecham Corporation (US) 2004-03-24 — — EP disclosed
EP-1385495-A2 SULFONAMIDES SmithKline Beecham Corporation (US) 2004-02-04 — — EP disclosed
WO-2002089740-A2 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2002-11-14 — — WO disclosed
WO-2002089785-A1 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2002-11-14 — — WO 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 (2 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-20050043536-A1 antagonists of urotensin II; for example, 2,6-Dichloro-N-[3-(dimethylamino-ethoxy)4-trifluoromethyl-phenyl]-4trifluoromethyl-benzenesulfonamide UTS2R, SPINT2, PRSS2 ESR1 2083/4885ESR2 570/4885HTR3E 411/4885
US-20040152893-A1 Sulfonamides UTS2R, PRSS2, STS ESR1 2435/4885ESR2 1025/4885HTR3E 1945/4885

“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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