SCHEMBL2597112

SCHEMBL2597112

NCCC(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.60
ITGA2B P08514 4/20 0.60
ECE1 P42892 2/20 0.54
PPARG P37231 1/20 0.54
PPARA Q07869 1/20 0.54
CTSK P43235 3/20 0.53
TACR1 P25103 2/20 0.53
FOLH1 Q04609 1/20 0.53
SIRT2 Q8IXJ6 1/20 0.53
SIRT1 Q96EB6 1/20 0.53
MME P08473 1/20 0.53
CTRB1 P17538 2/20 0.52
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
CTSS P25774 1/20 0.52

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
SCHEMBL14561115 1.00 ITGB3 (0.60) ITGB3ITGA2BECE1PPARGPPARA
SCHEMBL1023794 1.00 ITGB3 (0.60) ITGB3ITGA2BECE1PPARGPPARA
SCHEMBL2367228 0.92 ITGB3 (0.64) ITGB3ITGA2BECE1FOLH1SIRT2
SCHEMBL210602 0.92 ITGB3 (0.64) ITGB3ITGA2BECE1FOLH1SIRT2
SCHEMBL210601 0.92 ITGB3 (0.64) ITGB3ITGA2BECE1FOLH1SIRT2
SCHEMBL17878707 0.91 ITGB3 (0.54) ITGB3ITGA2BCTSKTACR1CTRB1
SCHEMBL29706702 0.91 ITGB3 (0.54) ITGB3ITGA2BCTSKTACR1CTRB1
SCHEMBL15968143 0.90 ITGB3 (0.66) ITGB3ITGA2BECE1FOLH1SIRT2
SCHEMBL287475 0.90 ITGB3 (0.66) ITGB3ITGA2BECE1FOLH1SIRT2
Hydrochloric Acid SCHEMBL2500832 0.90 ITGB3 (0.63) ITGB3ITGA2BECE1FOLH1SIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250241926-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2025-07-31 US disclosed
EP-4419207-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LTD (GB) 2025-07-23 EP disclosed
EP-4472739-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2024-12-11 EP disclosed
CN-118632841-A Heterocyclic compounds for the treatment of cancer 阿提奥斯医药有限公司 2024-09-10 CN disclosed
EP-4419207-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Artios Pharma Limited (GB) 2024-08-28 EP disclosed
EP-3377473-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2024-06-19 EP disclosed
EP-4371982-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX Pharmaceuticals, Inc. (US) 2024-05-22 EP disclosed
EP-3583096-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2024-03-27 EP disclosed
WO-2023148129-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2023-08-10 WO disclosed
WO-2023146892-A1 BIPHENYL-SUBSTITUTED EPITHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS PARION SCIENCES, INC. (US) 2023-08-03 WO disclosed
US-7034043-B2 Cell adhesion inhibitors BIOGEN IDEC MA INC. (US) 2006-04-25 US disclosed
WO-2005048922-A2 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-02 WO disclosed
US-20050096309-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-05-05 US disclosed
US-20040132809-A1 Cell adhesion inhibitors BIOGEN, INC. 2004-07-08 US disclosed
US-6630503-B1 Non-peptidic sulfonamide compounds that specifically inhibit the binding of ligands to VLA-4 for inhibition, prevention and suppression of VLA-4-mediated cell adhesion and pathologies such as inflammation and immune reactions BIOGEN, INC. 2003-10-07 US disclosed
EP-1265606-A4 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-18 EP disclosed
EP-1265606-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 2002-12-18 EP disclosed
WO-2001012186-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 2001-02-22 WO disclosed
EP-0910351-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-28 EP disclosed
WO-1997049387-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 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-20040132809-A1 Cell adhesion inhibitors VCAM1, ICAM1, EPCAM ITGB3 23/4885ITGA2B 32/4885ECE1 1517/4885
US-20250241926-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER NQO1, VHL, SDHA ITGB3 2402/4885ITGA2B 3671/4885ECE1 1399/4885
US-20050096309-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors TFPI, F12, F5 ITGB3 2577/4885ITGA2B 1569/4885ECE1 242/4885

“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.