Sugi Predict

Sugi Predict / Compounds / SCHEMBL346582

SCHEMBL346582

SCHEMBL346582

C[C@@H](N[S+]([O-])C(C)(C)C)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GPR139 Q6DWJ6 1/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ TRPV4 Q9HBA0 1/20 0.39
▸ P2RX3 P56373 8/20 0.36
▸ MAPK1 P28482 1/20 0.34
▸ P2RX7 Q99572 3/20 0.34
▸ P2RX2 Q9UBL9 6/20 0.34
▸ TRPV3 Q8NET8 3/20 0.33
▸ CYP2C8 P10632 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ IDH1 O75874 1/20 0.32

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
SCHEMBL2362685 1.00 GPR139 (0.40) GPR139CYP2C9NR1I2TRPV4P2RX3
SCHEMBL998111 1.00 GPR139 (0.40) GPR139CYP2C9NR1I2TRPV4P2RX3
SCHEMBL996960 1.00 GPR139 (0.40) GPR139CYP2C9NR1I2TRPV4P2RX3
SCHEMBL19962272 1.00 GPR139 (0.40) GPR139CYP2C9NR1I2TRPV4P2RX3
SCHEMBL998112 1.00 GPR139 (0.40) GPR139CYP2C9NR1I2TRPV4P2RX3
SCHEMBL28656329 1.00 GPR139 (0.40) GPR139CYP2C9NR1I2TRPV4P2RX3
SCHEMBL28656330 1.00 GPR139 (0.40) GPR139CYP2C9NR1I2TRPV4P2RX3
SCHEMBL14831456 0.88 IDH1 (0.36) GPR139CYP2C9NR1I2IDH1
SCHEMBL14831455 0.88 IDH1 (0.36) GPR139CYP2C9NR1I2IDH1
SCHEMBL27966106 0.88 IDH1 (0.36) GPR139CYP2C9NR1I2IDH1

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 58 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-20230053411-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-02-23 — — US disclosed
CN-110256418-B 1, 3-thiazol-2-yl substituted benzamides 拜耳公司 2023-01-20 — — CN disclosed
CN-113660983-A Carbamate derivatives and uses thereof 诺瑟拉有限公司 2021-11-16 — — CN disclosed
US-11142523-B2 1,3-thiazol-2-yl substituted benzamides BAYER AKTIENGESELLSCHAFT (DE) 2021-10-12 — — 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
CN-107207507-B 1, 3-thiazol-2-yl substituted benzamides 拜耳公司 2020-11-06 — — CN disclosed
US-20200131169-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-04-30 — — US disclosed
US-8076345-B2 2-cyanophenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine compounds, compositions and uses thereof EVOTEC AG (DE) 2011-12-13 — — US disclosed
US-20110206783-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2011-08-25 — — US disclosed
US-20110009432-A1 PYRID-2YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-01-13 — — US disclosed
US-20110003822-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2011-01-06 — — US disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 — — US disclosed
EP-2139334-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2010-01-06 — — EP disclosed
EP-2136639-A1 PYRID-2-YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2009-12-30 — — EP disclosed
US-20080275037-A1 2-Cyanophenyl fused heterocyclic compounds, and compositions and uses thereof EVOTEC AG (DE) 2008-11-06 — — US disclosed
WO-2008130481-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2008-10-30 — — WO disclosed
WO-2008123963-A1 PYRID-2-YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2008-10-16 — — 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 (8 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 GPR139 2976/4885CYP2C9 1392/4885NR1I2 1353/4885
US-20110009432-A1 PYRID-2YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF IL1B, C5, HTR2C GPR139 1772/4885CYP2C9 269/4885NR1I2 369/4885
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 GPR139 147/4885CYP2C9 4126/4885NR1I2 598/4885
US-20080275037-A1 2-Cyanophenyl fused heterocyclic compounds, and compositions and uses thereof CNR2, CNR1, CBR1 GPR139 1510/4885CYP2C9 436/4885NR1I2 508/4885
US-20110206783-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 GPR139 122/4885CYP2C9 3902/4885NR1I2 579/4885
US-20110003822-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 GPR139 147/4885CYP2C9 4126/4885NR1I2 598/4885
US-11142523-B2 1,3-thiazol-2-yl substituted benzamides NAT1, HNMT, PMP22 GPR139 2976/4885CYP2C9 1392/4885NR1I2 1353/4885
US-20200131169-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES NAT1, HNMT, PMP22 GPR139 2976/4885CYP2C9 1392/4885NR1I2 1353/4885

“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.