SCHEMBL1194372

SCHEMBL1194372

O=C(CBr)c1cccc(S(F)(F)(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 10/20 0.52
▸ PTPN1 P18031 6/20 0.52
▸ AKR1C3 P42330 3/20 0.47
▸ AKR1C2 P52895 3/20 0.47
▸ KDM1A O60341 1/20 0.40
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ TAS2R14 Q9NYV8 1/20 0.38
▸ ACHE P22303 1/20 0.37
▸ F2 P00734 1/20 0.36
▸ F10 P00742 1/20 0.36

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
SCHEMBL9409741 0.80 GSK3B (0.70) GSK3BPTPN1
SCHEMBL16110122 0.77 PTPN1 (0.61) GSK3BPTPN1AKR1C3AKR1C2
SCHEMBL1169066 0.77 AKR1C3 (0.72) AKR1C3AKR1C2PTGS1PTGS2TAS2R14
SCHEMBL29520207 0.76 CES2 (0.61) GSK3BPTPN1
SCHEMBL167913 0.76 CES2 (0.61) GSK3BPTPN1
SCHEMBL29495930 0.76 AKR1C3 (0.51) AKR1C3AKR1C2PTGS1PTGS2TAS2R14
SCHEMBL477610 0.76 AKR1C3 (0.51) AKR1C3AKR1C2KDM1APTGS1PTGS2
SCHEMBL1195462 0.76 AKR1C3 (0.51) AKR1C3AKR1C2PTGS1PTGS2TAS2R14
SCHEMBL30782680 0.75 ALDH1A1 (0.58) AKR1C3AKR1C2PTGS1PTGS2TAS2R14
SCHEMBL1194011 0.75 GSK3B (0.46) GSK3BPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466169-B2 SF5 derivatives as PAR1 inhibitors, production thereof, and use as medicaments SANOFI (FR) 2013-06-18 — — US disclosed
US-20110034461-A1 SF5 DERIVATIVES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2011-02-10 — — US disclosed
US-7863269-B2 protease-activated receptor 1 (PAR1) inhibitors such as 1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-(3-iminoimidazo[1,5-a]pyridin-2-yl)ethanone, used as anticoagulants SANOFI-AVENTIS (FR) 2011-01-04 — — US disclosed
US-7863269-B2 protease-activated receptor 1 (PAR1) inhibitors such as 1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-(3-iminoimidazo[1,5-a]pyridin-2-yl)ethanone, used as anticoagulants SANOFI-AVENTIS (FR) 2011-01-04 — — US disclosed
US-20090192150-A1 IMINO-IMIDAZO-PYRIDINE DERIVATIVES HAVING ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2009-07-30 — — US disclosed
US-20090192150-A1 IMINO-IMIDAZO-PYRIDINE DERIVATIVES HAVING ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2009-07-30 — — US 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-20090192150-A1 IMINO-IMIDAZO-PYRIDINE DERIVATIVES HAVING ANTITHROMBOTIC ACTIVITY F2R, TFPI, F2RL1 GSK3B 3927/4885PTPN1 729/4885AKR1C3 1437/4885
US-20110034461-A1 SF5 DERIVATIVES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS F2R, F2RL1, F2RL3 GSK3B 2612/4885PTPN1 1291/4885AKR1C3 924/4885

“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.

Send feedback