Sugi Predict

Sugi Predict / Compounds / SCHEMBL1775840

SCHEMBL1775840

SCHEMBL1775840

N[C@H](CO)Cc1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 2/20 0.59
▸ SLC6A4 P31645 2/20 0.46
▸ LOXL2 Q9Y4K0 1/20 0.46
▸ DPP4 P27487 2/20 0.45
▸ DPP7 Q9UHL4 1/20 0.45
▸ EPHX1 P07099 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.43
▸ IDO1 P14902 4/20 0.41
▸ AGXT P21549 2/20 0.41
▸ ANPEP P15144 2/20 0.40
▸ ENPEP Q07075 2/20 0.40
▸ FAP Q12884 1/20 0.40
▸ DPP8 Q6V1X1 1/20 0.40
▸ DPP9 Q86TI2 1/20 0.40
▸ CPA1 P15085 1/20 0.40

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
SCHEMBL4874729 1.00 TRPA1 (0.59) TRPA1SLC6A4LOXL2DPP4DPP7
SCHEMBL823637 1.00 TRPA1 (0.59) TRPA1SLC6A4LOXL2DPP4DPP7
SCHEMBL3191528 0.88 SLC6A4 (0.58) TRPA1SLC6A4LOXL2DPP4DPP7
Methyl Carbamate SCHEMBL28108930 0.84 TRPA1 (0.49) TRPA1DPP4DPP7
Hydrochloric Acid SCHEMBL6539906 0.84 TRPA1 (0.45) TRPA1DPP4DPP7TAAR1
Hydrochloric Acid SCHEMBL6539897 0.84 TRPA1 (0.45) TRPA1DPP4DPP7TAAR1
SCHEMBL15476620 0.84 SLC6A4 (0.48) TRPA1SLC6A4LOXL2DPP4DPP7
SCHEMBL5787187 0.82 LOXL2 (0.52) TRPA1SLC6A4LOXL2DPP4DPP7
SCHEMBL3614354 0.81 TAAR1 (0.48) TRPA1SLC6A4LOXL2DPP4TAAR1
SCHEMBL3614359 0.81 TAAR1 (0.48) TRPA1SLC6A4LOXL2DPP4TAAR1

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-8980833-B2 Tubulysine derivatives R&D-BIOPHARMACEUTICALS GMBH (DE) 2015-03-17 — — US disclosed
US-8980833-B2 Tubulysine derivatives R&D-BIOPHARMACEUTICALS GMBH (DE) 2015-03-17 — — US disclosed
EP-1888562-B1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARM HOLDING (US) 2014-06-18 — — EP disclosed
EP-2148886-B1 TUBULYSINE DERIVATIVES R & D BIOPHARMACEUTICALS GMBH (DE) 2014-02-19 — — EP disclosed
US-8546383-B2 Chiral fused [1,2]imidazo[4,5-c] ring compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-10-01 — — US disclosed
EP-2532673-A2 Tubulysine derivatives R & D Biopharmaceuticals Gmbh (DE) 2012-12-12 — — EP disclosed
US-20120232057-A1 CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY 2012-09-13 — — US disclosed
EP-1831226-B1 CHIRAL TETRACYCLIC COMPOUNDS INDUCING INTERFERON BIOSYNTHESIS 3M INNOVATIVE PROPERTIES CO (US) 2012-08-08 — — EP disclosed
US-8207162-B2 Chiral fused [1,2]imidazo[4,5-c] ring compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-06-26 — — US disclosed
US-20120129779-A1 TUBULYSINE DERIVATIVES R&D-BIOPHARMACEUTICALS GMBH (DE) 2012-05-24 — — US disclosed
US-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-01-14 — — US disclosed
US-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-01-14 — — US disclosed
US-7553861-B2 Dipeptidyl peptidase-IV inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-06-30 — — US disclosed
US-7553861-B2 Dipeptidyl peptidase-IV inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-06-30 — — US disclosed
WO-2008138561-A1 TUBULYSINE DERIVATIVES R & D BIOPHARMACEUTICALS GMBH (DE) 2008-11-20 — — WO disclosed
US-20080269192-A1 Chiral Fused [1,2]Imidazo[4,5-C] Ring Compounds COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-10-30 — — US disclosed
EP-1092435-B1 REMEDIES FOR DIABETES KYOWA HAKKO KOGYO KK (JP) 2007-04-04 — — EP disclosed
US-6489331-B1 A CONDENSED PURINE DERIVATIVE AS AN ACTIVE INGREDIENT AS AN ENHANCER OF INSULIN SECRETION AND A MEDICAMENT FOR THE TREATMENT OF DIABETES KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-12-03 — — US disclosed
EP-1092435-A1 REMEDIES FOR DIABETES KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-04-18 — — EP disclosed
WO-1997046553-A1 THROMBIN INHIBITORS NOVARTIS AG (CH) 1997-12-11 — — 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 (4 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-20080269192-A1 Chiral Fused [1,2]Imidazo[4,5-C] Ring Compounds IFNAR1, IFNG, IL4 TRPA1 4329/4885SLC6A4 4278/4885LOXL2 4745/4885
US-20120232057-A1 CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS IFNAR1, IFNG, IL4 TRPA1 4334/4885SLC6A4 4289/4885LOXL2 4755/4885
US-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP3, DPP7 TRPA1 3541/4885SLC6A4 167/4885LOXL2 3407/4885
US-20120129779-A1 TUBULYSINE DERIVATIVES GLS, TPX2, HKDC1 TRPA1 4002/4885SLC6A4 1280/4885LOXL2 1992/4885

“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.