Sugi Predict

Sugi Predict / Compounds / SCHEMBL4874729

SCHEMBL4874729

SCHEMBL4874729

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
SCHEMBL1775840 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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076330-B2 Dipeptidyl peptidase-IV inhibitors AMGEN INC. (US) 2011-12-13 — — US disclosed
US-8076330-B2 Dipeptidyl peptidase-IV inhibitors AMGEN INC. (US) 2011-12-13 — — US disclosed
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2011-05-12 — — US disclosed
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2011-05-12 — — 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
CN-100569773-C Novel azaindole thiazolinone as carcinostatic agent HOFFMANN LA ROCHE (CH) 2009-12-16 — — CN 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
EP-1805175-B1 NOVEL AZAINDOLE THIAZOLINONES AS ANTI-CANCER AGENTS HOFFMANN LA ROCHE (CH) 2008-03-05 — — EP disclosed
US-20060004045-A1 Thiazolinone unsubstituted quinolines CHEN LI 2006-01-05 — — US disclosed
EP-1251130-B1 FUSED PURINE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2005-02-16 — — EP disclosed
US-20030176698-A1 Fused purine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-09-18 — — US 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-1251130-A1 FUSED PURINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-10-23 — — EP disclosed
US-6274715-B1 SEMISYNTHETIC MACROLIDES, USEFUL IN BACTERIAL INFECTIONS TREATMENT AND PREVENTION, HAS LESS POTENTIAL FOR DEVELOPING RESISTANCE, IMPROVED OR MODIFIED PROFILES OF DESIRED GRAM-NEGATIVE ACTIVITY ABBOTT LABORATORIES 2001-08-14 — — US disclosed
EP-1092435-A1 REMEDIES FOR DIABETES KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-04-18 — — EP disclosed
CN-1244202-A Tricyclic erythromycin derivatives ABBOTT LAB (US) 2000-02-09 — — CN disclosed
EP-0961776-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 1999-12-08 — — EP disclosed
WO-1998030574-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1998-07-16 — — 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 (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-20030176698-A1 Fused purine derivatives PNP, NSUN2, CYP2W1 TRPA1 4602/4885SLC6A4 1160/4885LOXL2 1877/4885
US-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP3, DPP7 TRPA1 3541/4885SLC6A4 167/4885LOXL2 3407/4885
US-20060004045-A1 Thiazolinone unsubstituted quinolines CDK1, CDK17, CDK14 TRPA1 4275/4885SLC6A4 3156/4885LOXL2 3444/4885
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors DPP4, DPP3, DPP7 TRPA1 3541/4885SLC6A4 167/4885LOXL2 3407/4885

“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.