SCHEMBL4574657

SCHEMBL4574657

CC1=C(C(=O)O)NC(C(=O)O)=CC1(C)Cl

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL21044400 0.81 NOTUM (0.31) —
SCHEMBL18305807 0.79 NOTUM (0.31) —
SCHEMBL21044223 0.79 — —
SCHEMBL21044222 0.76 — —
SCHEMBL21044383 0.76 — —
SCHEMBL21044524 0.75 — —
SCHEMBL21044538 0.75 — —
SCHEMBL21044377 0.75 — —
SCHEMBL21044361 0.74 — —
SCHEMBL21044585 0.74 NOTUM (0.33) —

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240124420-A1 HAPH ANALOGS AND THERAPEUTIC AND DIAGNOSTIC USES THEREOF MEDICAL RESEARCH & CONSULTING SERVICES, LLC 2024-04-18 — — US disclosed
WO-2024059853-A2 HAPH ANALOGS AND THERAPEUTIC AND DIAGNOSTIC USES THEREOF MEDICAL RESEARCH & CONSULTING SERVICES, LLC (US) 2024-03-21 — — WO disclosed
EP-3429997-A1 N-(CYANOBENZYL)-6-(CYCLOPROPYL-CARBONYLAMINO)-4-(PHENYL)-PYRIDINE-2-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PESTICIDES AND PLANT PROTECTION AGENTS Bayer CropScience Aktiengesellschaft (DE) 2019-01-23 — — EP disclosed
WO-2017157885-A1 N-(CYANOBENZYL)-6-(CYCLOPROPYL-CARBONYLAMINO)-4-(PHENYL)-PYRIDINE-2-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PESTICIDES AND PLANT PROTECTION AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-09-21 — — WO disclosed
US-7319084-B2 Catalysts containing N-pyrrolyl substituted nitrogen donors E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-01-15 — — US disclosed
US-20060178490-A1 Catalysts containing N-pyrrolyl substituted nitrogen donors E. I. DU PONT DE NEMOURS AND COMPANY 2006-08-10 — — US disclosed
US-20050054856-A1 Catalysts containing N-pyrrolyl substituted nitrogen donors EASTMAN CHEMICAL COMPANY (US) 2005-03-10 — — US disclosed
US-6825356-B2 REMAINING DONOR ATOMS OF THE LIGAND ARE SELECTED FROM THE GROUP CONSISTING OF C, N, P, AS, O, S, AND SE EASTMAN CHEMICAL COMPANY 2004-11-30 — — US disclosed
US-20030225228-A1 Catalysts containing N-pyrrolyl substituted nitrogen donors EASTMAN CHEMICAL COMPANY 2003-12-04 — — US disclosed
US-20030195110-A1 Catalysts containing N-pyrrolyl substituted nitrogen donors E. I. DU PONT DE NEMOURS AND COMPANY 2003-10-16 — — US disclosed
US-6559091-B1 Metal complex ligated by a monodentate, bidentate, tridentate, or tetradentate ligand, wherein at least one of the donor atoms of the ligand is a nitrogen atom substituted by a 1-pyrrolyl or substituted 1- pyrrolyl group EASTMAN CHEMICAL COMPANY 2003-05-06 — — US disclosed
US-6545108-B1 Ti, Zr, Hf, Cr, Mo, W, V, Nb, or Ta complex of a monodentate dianionic ligand in which a nitrogen atom is substituted by a 1-pyrrolyl and the remaining donor atoms are N, P, As, O, S, or Se EASTMAN CHEMICAL COMPANY 2003-04-08 — — US disclosed
EP-1278784-A2 CATALYSTS CONTAINING N-PYRROLYL SUBSTITUTED NITROGEN DONORS EASTMAN CHEMICAL COMPANY (US) 2003-01-29 — — EP disclosed
EP-1192189-A2 CATALYSTS CONTAINING N-PYRROLYL SUBSTITUTED NITROGEN DONORS EASTMAN CHEMICAL COMPANY (US) 2002-04-03 — — EP disclosed
WO-2001083571-A2 CATALYSTS CONTAINING N-PYRROLYL SUBSTITUTED NITROGEN DONORS EASTMAN CHEMICAL COMPANY (US) 2001-11-08 — — WO disclosed
WO-2000050470-A2 CATALYSTS CONTAINING N-PYRROLYL SUBSTITUTED NITROGEN DONORS EASTMAN CHEMICAL COMPANY (US) 2000-08-31 — — 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 (3 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-20240124420-A1 HAPH ANALOGS AND THERAPEUTIC AND DIAGNOSTIC USES THEREOF HAGH, FECH, BLM ALDH1A1 2943/4885MAPK1 4816/4885SMN1; SMN2 3277/4885
US-20060178490-A1 Catalysts containing N-pyrrolyl substituted nitrogen donors NCL, NSFL1C, NCLN ALDH1A1 3786/4885MAPK1 4161/4885SMN1; SMN2 2811/4885
US-20050054856-A1 Catalysts containing N-pyrrolyl substituted nitrogen donors NCL, NSFL1C, NCLN ALDH1A1 3786/4885MAPK1 4161/4885SMN1; SMN2 2811/4885

“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.

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