SCHEMBL210602

SCHEMBL210602

NCCCC(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.64
ITGA2B P08514 4/20 0.64
PRSS1 P07477 1/20 0.61
PRSS2 P07478 1/20 0.61
PRSS3 P35030 1/20 0.61
TPSAB1 Q15661 1/20 0.61
ECE1 P42892 1/20 0.61
CPB1 P15086 1/20 0.58
CPB2 Q96IY4 1/20 0.58
FOLH1 Q04609 2/20 0.57
SIRT2 Q8IXJ6 3/20 0.56
SIRT1 Q96EB6 3/20 0.56
CTSL P07711 2/20 0.55
CTSS P25774 1/20 0.55
ACE P12821 1/20 0.55
ITGAV P06756 1/20 0.53
SIRT3 Q9NTG7 2/20 0.53
DPP4 P27487 1/20 0.53

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
SCHEMBL210601 1.00 ITGB3 (0.64) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL2367228 1.00 ITGB3 (0.64) ITGB3ITGA2BPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL2500832 0.99 ITGB3 (0.63) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL287474 0.96 ITGB3 (0.66) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6476819 0.96 ITGB3 (0.66) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL287475 0.96 ITGB3 (0.66) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL15968143 0.96 ITGB3 (0.66) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL24188458 0.95 ECE1 (0.62) ITGB3ITGA2BPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL4994643 0.95 ITGB3 (0.65) ITGB3ITGA2BPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL21219335 0.95 ITGB3 (0.65) ITGB3ITGA2BPRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748609-B2 Catalysis of diketopiperazine synthesis MANNKIND CORPORATION (US) 2014-06-10 US claimed
US-20120178935-A1 Catalysis of Diketopiperazine Synthesis MANNKIND CORPORATION (US) 2012-07-12 US claimed
US-8202992-B2 Catalysis of diketopiperazine synthesis MANNKIND CORPORATION (US) 2012-06-19 US claimed
US-20100087642-A1 Catalysis of Diketopiperazine Synthesis MANNKIND CORPORATION (US) 2010-04-08 US claimed
US-4960881-A REACTING AMINO ACID WITH ALPHA-CHLORINATED CARBONATE IN SOLVENT IN PRESENCE OF ACID SCAVENGER SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1990-10-02 US claimed
US-3936469-A Process for preparing N-carboxylic anhydrides of amino acids KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JA) 1976-02-03 US claimed
EP-4425181-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE Bertis Inc (KR) 2024-09-04 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-2023146892-A1 BIPHENYL-SUBSTITUTED EPITHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS PARION SCIENCES, INC. (US) 2023-08-03 WO disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
CN-110520413-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2023-02-17 CN disclosed
EP-4016075-A1 SEPARATING AGENT Daicel Corporation (JP) 2022-06-22 EP disclosed
EP-0527764-A1 PHOSPHONOPEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY Beecham Group p.l.c. (GB) 1993-02-24 EP disclosed
EP-0178911-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1992-01-22 EP disclosed
WO-1991015507-A1 PHOSPHONOPEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY BEECHAM GROUP PLC (GB) 1991-10-17 WO disclosed
US-4960881-A REACTING AMINO ACID WITH ALPHA-CHLORINATED CARBONATE IN SOLVENT IN PRESENCE OF ACID SCAVENGER SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1990-10-02 US disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0178911-A2 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1986-04-23 EP disclosed
US-3936469-A Process for preparing N-carboxylic anhydrides of amino acids KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JA) 1976-02-03 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 (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-20100087642-A1 Catalysis of Diketopiperazine Synthesis PHYKPL, DNPEP, NPEPPS ITGB3 4092/4885ITGA2B 4360/4885PRSS1 807/4885
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC ITGB3 4676/4885ITGA2B 4491/4885PRSS1 5/4885
US-20120178935-A1 Catalysis of Diketopiperazine Synthesis PHYKPL, DNPEP, NPEPPS ITGB3 4092/4885ITGA2B 4360/4885PRSS1 807/4885

“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.