SCHEMBL456756

SCHEMBL456756

C[C@@H](NC(=O)O)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.53
NR1I2 O75469 1/20 0.53
GPR139 Q6DWJ6 1/20 0.51
MAPK1 P28482 1/20 0.48
CYP2C8 P10632 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
P2RX3 P56373 6/20 0.46
P2RX2 Q9UBL9 6/20 0.46
P2RX7 Q99572 3/20 0.44
CYP3A4 P08684 1/20 0.44
PPARG P37231 1/20 0.43
DGAT2 Q96PD7 4/20 0.42
CNR1 P21554 1/20 0.41

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
SCHEMBL3852479 0.88 GPR139 (0.51) CYP2C9NR1I2GPR139MAPK1CYP2C8
SCHEMBL20581332 0.85 CYP2C9 (0.46) CYP2C9NR1I2GPR139MAPK1CYP2C8
SCHEMBL4980126 0.84 GPR139 (0.43) CYP2C9NR1I2GPR139MAPK1CYP2C8
SCHEMBL30277283 0.82 CYP2C9 (0.48) CYP2C9NR1I2GPR139MAPK1CYP2C8
SCHEMBL19962270 0.82 CYP2C9 (0.48) CYP2C9NR1I2GPR139MAPK1CYP2C8
SCHEMBL30050122 0.82 GPR139 (0.52) CYP2C9NR1I2GPR139MAPK1CYP2C8
SCHEMBL27160041 0.82 GPR139 (0.52) CYP2C9NR1I2GPR139MAPK1CYP2C8
SCHEMBL27160044 0.82 GPR139 (0.52) CYP2C9NR1I2GPR139MAPK1CYP2C8
SCHEMBL14313728 0.81 GPR139 (0.51) CYP2C9NR1I2GPR139MAPK1P2RX3
SCHEMBL2719084 0.79 L3MBTL1 (0.55) CYP2C9MAPK1CYP2C19

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230053411-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-02-23 US disclosed
US-11142523-B2 1,3-thiazol-2-yl substituted benzamides BAYER AKTIENGESELLSCHAFT (DE) 2021-10-12 US disclosed
EP-3230281-B1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES BAYER AG (DE) 2021-05-26 EP disclosed
EP-2860178-B1 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME (US) 2021-01-13 EP disclosed
US-20200131169-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-04-30 US disclosed
US-10472354-B2 1,3-thiazol-2-yl substituted benzamides BAYER AKTIENGESELLSCHAFT (DE) 2019-11-12 US disclosed
US-20190185466-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES BAYER AKTIENGESELLSCHAFT (DE) 2019-06-20 US disclosed
EP-2215049-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2019-06-12 EP disclosed
US-10202369-B2 1,3-thiazol-2-yl substituted benzamides BAYER AKTIENGESELLSCHAFT (DE) 2019-02-12 US disclosed
US-10183937-B2 1,3-thiazol-2-yl substituted benzamides BAYER AKTIENGESELLSCHAFT (DE) 2019-01-22 US disclosed
EP-2215048-B1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2015-10-28 EP disclosed
EP-2860178-A2 P2X3 receptor antagonists for treatment of pain Merck Sharp & Dohme Corp. (US) 2015-04-15 EP disclosed
EP-2358371-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2015-02-11 EP disclosed
US-8946231-B2 P2X3, receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2015-02-03 US disclosed
US-8598209-B2 P2X3, receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2013-12-03 US disclosed
US-8461185-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2013-06-11 US disclosed
US-8247401-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2012-08-21 US disclosed
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 US disclosed
US-20110206783-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2011-08-25 US disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 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 (10 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-20230053411-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES NAT1, HNMT, PMP22 CYP2C9 1392/4885NR1I2 1353/4885GPR139 2976/4885
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 CYP2C9 4126/4885NR1I2 598/4885GPR139 147/4885
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain P2RX3, P2RX1, P2RX2 CYP2C9 4126/4885NR1I2 598/4885GPR139 147/4885
US-20190185466-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES NAT1, HNMT, PMP22 CYP2C9 1392/4885NR1I2 1353/4885GPR139 2976/4885
US-10202369-B2 1,3-thiazol-2-yl substituted benzamides NAT1, HNMT, PMP22 CYP2C9 1392/4885NR1I2 1353/4885GPR139 2976/4885
US-10472354-B2 1,3-thiazol-2-yl substituted benzamides NAT1, HNMT, PMP22 CYP2C9 1392/4885NR1I2 1353/4885GPR139 2976/4885
US-20110206783-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 CYP2C9 3902/4885NR1I2 579/4885GPR139 122/4885
US-10183937-B2 1,3-thiazol-2-yl substituted benzamides NAT1, HNMT, PMP22 CYP2C9 1392/4885NR1I2 1353/4885GPR139 2976/4885
US-11142523-B2 1,3-thiazol-2-yl substituted benzamides NAT1, HNMT, PMP22 CYP2C9 1392/4885NR1I2 1353/4885GPR139 2976/4885
US-20200131169-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES NAT1, HNMT, PMP22 CYP2C9 1392/4885NR1I2 1353/4885GPR139 2976/4885

“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.