SCHEMBL6773153

SCHEMBL6773153

N=C(N)Nc1cccc(C(=O)NCC(=O)NCCC(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.55
ITGA2B P08514 6/20 0.55
GAA P10253 1/20 0.47
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
EPHX2 P34913 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
F10 P00742 2/20 0.44
PRSS1 P07477 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ITGA2 P17301 1/20 0.43

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
SCHEMBL27502754 0.90 ITGB3 (0.47) ITGB3ITGA2BGAAHTTL3MBTL1
SCHEMBL9337540 0.88 GAA (0.53) ITGB3ITGA2BGAAHTTL3MBTL1
SCHEMBL23489334 0.88 F10 (0.51) ITGB3ITGA2BGAAHTTL3MBTL1
SCHEMBL6366986 0.86 PLA2G10 (0.47) ITGB3ITGA2BHTTL3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL6368863 0.85 PLA2G10 (0.46) ITGB3ITGA2BHTTL3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL6773326 0.85 PLA2G10 (0.46) ITGB3ITGA2BHTTL3MBTL1SMN1; SMN2
SCHEMBL7832432 0.85 GAA (0.47) ITGB3ITGA2BGAASMN1; SMN2F10
SCHEMBL9335860 0.84 GAA (0.60) ITGB3ITGA2BGAAEPHX2SMN1; SMN2
Formic Acid SCHEMBL9337546 0.84 GAA (0.49) ITGB3ITGA2BGAAHTTL3MBTL1
SCHEMBL7346500 0.84 ITGB3 (0.60) ITGB3ITGA2BGAAHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP claimed
CN-1201454-A Meta-guanidino, ureido, thioureido or azacyclic aminobenzoic acid derivatives as integrin antagonists SEARLE & CO (US) 1998-12-09 CN claimed
EP-0850221-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1998-07-01 EP claimed
WO-1997008145-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-03-06 WO claimed
US-11530180-B2 Alpha-5 beta-1 inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-12-20 US disclosed
CN-115348861-A Alpha-5 beta-1 inhibitors 加利福尼亚大学董事会 2022-11-15 CN disclosed
WO-2021119199-A1 ALPHA-5 BETA-1 INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-06-17 WO disclosed
US-20210171455-A1 ALPHA-5 BETA-1 INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-06-10 US disclosed
US-10836720-B2 Inhibitors of integrin alpha 5 beta 1 and methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-11-17 US disclosed
US-20190144386-A1 INHIBITORS OF INTEGRIN ALPHA 5 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-05-16 US disclosed
US-6831199-B1 In order to avoid bleeding side-effects when treating the conditions associated with integrin alpha v beta 3, it is beneficial to have compounds which are selective antagonists for alpha v beta 3 versus alpha IIb beta 3 G. D. SEARLE & CO. 2004-12-14 US disclosed
EP-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP disclosed
US-6028223-A AN INTEGRIN ANTAGONISTS TREATING BONE DISORDER, PERIODONTAL DISEASE, OSTEOPOROSIS, HUMORAL HYPERCALCEMIA OF MALIGNANCY, PAGET'S DISEASE, TUMOR ANGIOGENESIS, DIABETIC RETINOPATHY, ARTHRITIS, SMOOTH MUSCLE CELL MIGRATION AND RESTENOSIS G. D. SEARLE & CO. (US) 2000-02-22 US 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-20210171455-A1 ALPHA-5 BETA-1 INHIBITORS SCN5A, PSMA5, API5 ITGB3 957/4885ITGA2B 1033/4885GAA 174/4885
US-20190144386-A1 INHIBITORS OF INTEGRIN ALPHA 5 BETA 1 AND METHODS OF USE ITGA5, ITGB5, ITGB1 ITGB3 6/4885ITGA2B 7/4885GAA 1580/4885
US-10836720-B2 Inhibitors of integrin alpha 5 beta 1 and methods of use ITGA5, ITGB5, ITGB1 ITGB3 6/4885ITGA2B 7/4885GAA 1580/4885
US-11530180-B2 Alpha-5 beta-1 inhibitors SCN5A, PSMA5, API5 ITGB3 957/4885ITGA2B 1033/4885GAA 174/4885

“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.