Sugi Predict

Sugi Predict / Compounds / SCHEMBL718612

SCHEMBL718612

SCHEMBL718612

C#Cc1cc(F)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA3 P07451 1/20 0.42
▸ CA6 P23280 1/20 0.42
▸ CA5A P35218 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ CA5B Q9Y2D0 1/20 0.42
▸ CES2 O00748 2/20 0.38
▸ CES1 P23141 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ EGFR P00533 1/20 0.36
▸ FBP1 P09467 1/20 0.36
▸ NFE2L2 Q16236 3/20 0.34
▸ KDM1A O60341 2/20 0.33
▸ KDM1B Q8NB78 1/20 0.33
▸ GRM5 P41594 4/20 0.33
▸ AHR P35869 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 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
SCHEMBL30111761 0.80 ALDH1A1 (0.42) CA3CA6CA5ACA9CA14
SCHEMBL434666 0.80 ALDH1A1 (0.42) CA3CA6CA5ACA9CA14
SCHEMBL1544963 0.78 PTGDR2 (0.36) ALDH1A1EGFRFBP1AHRCYP2A6
SCHEMBL17787791 0.76 EGFR (0.32) EGFRFBP1ESR1ESR2
SCHEMBL5958536 0.76 PYCR1 (0.39) ALDH1A1EGFRFBP1KDM1AKDM1B
SCHEMBL24869692 0.76 PKM (0.31) CA3CA6CA5ACA9CA14
SCHEMBL2812282 0.76 TRPV4 (0.47) EGFRFBP1ESR1ESR2
SCHEMBL9938159 0.76 PGK1 (0.36) CA3CA6CA5ACA9CA14
SCHEMBL22134762 0.76 ALDH1A1 (0.50) CA3CA6CA5ACA9CA14
SCHEMBL2809900 0.76 ESR1 (0.45) CA3CA6CA5ACA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599201-B1 SELECTIVE NON-STEROIDAL GLUCOCORTICOID RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2010-04-14 — — EP claimed
EP-2027120-A2 MGLUR5 MODULATORS I AstraZeneca AB (SE) 2009-02-25 — — EP claimed
WO-2007130820-A2 MGLUR5 MODULATORS I ASTRAZENECA AB (SE) 2007-11-15 — — WO claimed
US-20070259862-A1 MGluR5 modulators I ASTRAZENECA AB (SE) 2007-11-08 — — US claimed
US-12195413-B2 Ethynyl derivatives HOFFMANN-LA ROCHE INC. (US) 2025-01-14 — — US disclosed
CN-108368107-B Fused heterocyclic compounds as S1P modulators 艾伯维公司 2021-11-26 — — CN disclosed
US-20210300844-A1 ETHYNYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2021-09-30 — — US disclosed
US-11059766-B2 Ethynyl derivatives HOFFMANN-LA ROCHE INC. (US) 2021-07-13 — — US disclosed
CN-107849006-B Ethynyl derivatives 豪夫迈·罗氏有限公司 2020-11-13 — — CN disclosed
US-10640510-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof SUNOVION PHARMACEUTICALS INC. (US) 2020-05-05 — — US disclosed
US-20200079778-A9 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF SUNOVION PHARMACEUTICALS INC. 2020-03-12 — — US disclosed
CN-107207481-B 3- (4-ethynylphenyl) hexahydropyrimidine-2, 4-dione derivatives as modulators of MGLUR4 豪夫迈·罗氏有限公司 2020-03-03 — — CN disclosed
WO-2007130820-A2 MGLUR5 MODULATORS I ASTRAZENECA AB (SE) 2007-11-15 — — WO disclosed
WO-2007130820-A2 MGLUR5 MODULATORS I ASTRAZENECA AB (SE) 2007-11-15 — — WO disclosed
US-20070259862-A1 MGluR5 modulators I ASTRAZENECA AB (SE) 2007-11-08 — — US disclosed
US-20070259862-A1 MGluR5 modulators I ASTRAZENECA AB (SE) 2007-11-08 — — US disclosed
US-20070259862-A1 MGluR5 modulators I ASTRAZENECA AB (SE) 2007-11-08 — — US disclosed
CN-101057357-A Aromatic hydrocarbon based proton exchange membrane and direct methanol fuel cell using same TOYO BOSEKI (JP) 2007-10-17 — — CN disclosed
US-20070207361-A1 AROMATIC HYDROCARBON BASED PROTON EXCHANGE MEMBRANE AND DIRECT METHANOL FUEL CELL USING SAME TOYO BOSEKI KABUSHIKI KAISHA (JP) 2007-09-06 — — US disclosed
EP-1826846-A1 AROMATIC HYDROCARBON-BASE PROTON EXCHANGE MEMBRANE AND DIRECT METHANOL FUEL CELL USING SAME Toyo Boseki Kabushiki Kasisha (JP) 2007-08-29 — — EP 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 (6 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-20070259862-A1 MGluR5 modulators I GRM5, GRM1, GRIK5 CA3 2880/4885CA6 4180/4885CA5A 1065/4885
US-11059766-B2 Ethynyl derivatives GRM1, GRM5, GRIN1 CA3 3540/4885CA6 4167/4885CA5A 2929/4885
US-20210300844-A1 ETHYNYL DERIVATIVES GRM1, GRIN1, GRM5 CA3 3658/4885CA6 4178/4885CA5A 3025/4885
US-20200079778-A9 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF GRM5, GRIK5, GRM2 CA3 543/4885CA6 2568/4885CA5A 204/4885
US-10640510-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof GRM5, GRIK5, GRM2 CA3 543/4885CA6 2568/4885CA5A 204/4885
US-12195413-B2 Ethynyl derivatives GRM1, GRIN1, GRM5 CA3 3658/4885CA6 4178/4885CA5A 3025/4885

“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.