(S)-Willardiine

(S)-Willardiine

SCHEMBL438494

NC(Cn1ccc(=O)[nH]c1=O)C(=O)O

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 6/20 0.56
GRIA2 P42262 6/20 0.56
GRIA4 P48058 6/20 0.56
GRIK5 Q16478 6/20 0.56
CYP1A2 P05177 3/20 0.56
BLM P54132 2/20 0.56
KMT2A Q03164 2/20 0.56
KDM4E B2RXH2 2/20 0.56
HSD17B10 Q99714 1/20 0.56
GRIA3 P42263 1/20 0.56
PKM P14618 1/20 0.53
DUT P33316 3/20 0.50
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
CYP3A4 P08684 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
GRM5 P41594 1/20 0.46
FOLH1 Q04609 1/20 0.46

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
(S)-Willardiine SCHEMBL401191 1.00 GRIA1 (0.56) GRIA1GRIA2GRIA4GRIK5CYP1A2
SCHEMBL666953 0.86 GRM5 (0.50) GRIA1GRIA2GRIA4GRIK5CYP1A2
SCHEMBL3635924 0.81 DUT (0.57) KMT2AKDM4EPKMDUTALDH1A1
SCHEMBL7136481 0.81 PKM (0.56) PKMDUTALDH1A1LMNA
SCHEMBL5001166 0.78 DUT (0.51) GRIA1GRIA2GRIA4GRIK5CYP1A2
SCHEMBL667078 0.78 PKM (0.61) PKMDUTALDH1A1LMNA
SCHEMBL14478216 0.78 PKM (0.61) PKMDUTALDH1A1LMNA
SCHEMBL23873265 0.78 PKM (0.60) PKMDUTALDH1A1LMNA
SCHEMBL4311546 0.77 DUT (0.50) KMT2AKDM4EPKMDUTALDH1A1
SCHEMBL5000786 0.77 DUT (0.50) KMT2AKDM4EPKMDUTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140057850-A1 PEPTIDE FOR USE IN THE TREATMENT OF SKIN CONDITIONS ORGANOBALANCE GMBH (DE) 2014-02-27 US claimed
EP-2673288-A1 PEPTIDE FOR USE IN THE TREATMENT OF SKIN CONDITIONS Organo Balance GmbH (DE) 2013-12-18 EP claimed
WO-2012107244-A1 PEPTIDE FOR USE IN THE TREATMENT OF SKIN CONDITIONS ORGANOBALANCE GMBH (DE) 2012-08-16 WO claimed
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US claimed
CN-118324862-A Acetylcholine receptor inhibiting peptides and uses thereof 思亲美有限公司 2024-07-12 CN disclosed
US-20240158722-A1 METHODS OF FACILITATING REMOVAL OF A FINGERPRINT TOYOTA MOTOR ENGINEERING & MANUFACTURING NORTH AMERICA, INC. (US) 2024-05-16 US disclosed
EP-4352221-A1 MAP4K4 INHIBITORS AND METHODS OF SYNTHESIS AND USE THEREOF The Board Of Regents Of The University Of Oklahoma (US) 2024-04-17 EP disclosed
US-20240083946-A1 SELF-ASSEMBLING PEPTIDES, NANOFIBERS, AND METHODS OF USE THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA 2024-03-14 US disclosed
EP-4311399-A2 SELF-ASSEMBLING PEPTIDES, NANOFIBERS, AND METHODS OF USE The Board Of Regents Of The University Of Oklahoma (US) 2024-01-31 EP disclosed
US-11834635-B2 Methods of facilitating removal of a fingerprint TOYOTA MOTOR CORPORATION (JP) 2023-12-05 US disclosed
US-20230374420-A1 BIOACTIVE MATERIALS TOYOTA MOTOR ENGINEERING & MANUFACTURING NORTH AMERICA, INC. (US) 2023-11-23 US disclosed
US-20230340296-A1 COATINGS CONTAINING ENZYME FOR STABLE SELF-CLEANING OF ORGANIC STAINS TOYOTA MOTOR CORPORATION (JP) 2023-10-26 US disclosed
WO-2001068145-A2 PEPTIDASE-CLEAVABLE, TARGETED ANTINEOPLASTIC DRUGS AND THEIR THERAPEUTIC USE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-20 WO disclosed
WO-2001064678-A2 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-07 WO disclosed
WO-2001040262-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-06-07 WO disclosed
US-6191168-B1 BACTERICIDES Rubenstein, Edward 2001-02-20 US disclosed
WO-2001002424-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE DU PONT PHARMACEUTICALS COMPANY (US) 2001-01-11 WO disclosed
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US disclosed
EP-0787010-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-06 EP disclosed
WO-1996012499-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-05-02 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 (2 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-20140057850-A1 PEPTIDE FOR USE IN THE TREATMENT OF SKIN CONDITIONS NGLY1, FPR3, CUTA GRIA1 3978/4885GRIA2 4413/4885GRIA4 3319/4885
US-20230340296-A1 COATINGS CONTAINING ENZYME FOR STABLE SELF-CLEANING OF ORGANIC STAINS BCHE, ACHE, JMJD7 GRIA1 3175/4885GRIA2 3203/4885GRIA4 3565/4885

“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.