SCHEMBL1205498

SCHEMBL1205498

O=C(CBr)c1cc(OCCO)cc(S(F)(F)(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 11/20 0.37
▸ GAA P10253 1/20 0.35
▸ PTPN1 P18031 6/20 0.34
▸ ALDH1A1 P00352 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ PLA2G2A P14555 1/20 0.31
▸ NR1I2 O75469 1/20 0.30
▸ F2R P25116 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
SCHEMBL1194778 0.86 GSK3B (0.42) GSK3BPTPN1ALDH1A1RECQLPLA2G2A
SCHEMBL1195163 0.84 GSK3B (0.41) GSK3BPTPN1ALDH1A1
SCHEMBL1190303 0.82 GSK3B (0.53) GSK3BGAAPTPN1
SCHEMBL1188133 0.77 F2R (0.46) GSK3BGAAPTPN1PLA2G2AF2R
SCHEMBL1194011 0.73 GSK3B (0.46) GSK3BPTPN1
SCHEMBL1194507 0.72 GSK3B (0.47) GSK3BPTPN1ALDH1A1
SCHEMBL1195280 0.72 NPC1 (0.38) ALDH1A1
SCHEMBL9786122 0.72 GSK3B (0.59) GSK3BGAAPTPN1ALDH1A1RECQL
SCHEMBL1205749 0.71 NPC1 (0.35) ALDH1A1RECQLPLA2G2AF2R
SCHEMBL10204465 0.70 F2R (0.43) GSK3BPTPN1ALDH1A1F2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079906-B2 Triazolopyridazines as PAR1 inhibitors, production thereof, and use as medicaments SANOFI (FR) 2015-07-14 — — US disclosed
US-9079906-B2 Triazolopyridazines as PAR1 inhibitors, production thereof, and use as medicaments SANOFI (FR) 2015-07-14 — — US disclosed
US-9079906-B2 Triazolopyridazines as PAR1 inhibitors, production thereof, and use as medicaments SANOFI (FR) 2015-07-14 — — US disclosed
US-20120010203-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2012-01-12 — — US disclosed
US-20120010203-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2012-01-12 — — US disclosed
US-20120010203-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2012-01-12 — — US disclosed
EP-2240487-B1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI SA (FR) 2011-12-14 — — EP disclosed
US-8076336-B2 Triazolopyridazines as PAR1 inhibitors, production thereof, and use as medicaments SANOFI-AVENTIS (FR) 2011-12-13 — — US disclosed
US-8076336-B2 Triazolopyridazines as PAR1 inhibitors, production thereof, and use as medicaments SANOFI-AVENTIS (FR) 2011-12-13 — — US disclosed
US-20110034451-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2011-02-10 — — US disclosed
US-20110034451-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2011-02-10 — — US disclosed
US-20110034451-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2011-02-10 — — US disclosed
WO-2009097970-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-08-13 — — 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-20110034451-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS F2R, F2RL3, F2RL1 GSK3B 2283/4885GAA 3876/4885PTPN1 608/4885
US-20120010203-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS F2R, F2RL3, F2RL1 GSK3B 2283/4885GAA 3876/4885PTPN1 608/4885

“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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