SCHEMBL67031

SCHEMBL67031

CC(C)CC(C(=O)O)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.48
MMP13 P45452 1/20 0.38
REN P00797 1/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
RNPEP Q9H4A4 1/20 0.34
SLC7A5 Q01650 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
CPA1 P15085 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MAPT P10636 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
SCHEMBL69223 1.00 AAK1 (0.48) AAK1MMP13RENCTSLCTSB
SCHEMBL38056 1.00 AAK1 (0.48) AAK1MMP13RENCTSLCTSB
Water SCHEMBL3825021 0.98 AAK1 (0.47) AAK1MMP13RENCTSLCTSB
Ammonia Solution, Strong SCHEMBL28471283 0.98 AAK1 (0.47) AAK1MMP13RENCTSLCTSB
Lactic Acid SCHEMBL27487871 0.95 AAK1 (0.46) AAK1MMP13RENCTSLCTSB
SCHEMBL31191282 0.89 AAK1 (0.40) AAK1MMP13RENCTSLCTSB
SCHEMBL31036506 0.89 AAK1 (0.40) AAK1MMP13RENCTSLCTSB
SCHEMBL31522778 0.87 AAK1 (0.41) AAK1MMP13RENCTSLCTSB
SCHEMBL30639575 0.86 AAK1 (0.44) AAK1MMP13RENCTSLCTSB
SCHEMBL27032933 0.86 AAK1 (0.44) AAK1MMP13RENCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103965299-B A kind of ring pentapeptide and synthetic method thereof and application 暨南大学 2016-07-13 CN claimed
CN-104861046-A N-methyl cyclic pentapeptide compound and synthesis method and application thereof UNIV HEBEI SCIENCE & TECH 2015-08-26 CN claimed
CN-103965299-A Cyclic pentapeptide as well as synthetic method and application thereof UNIV JINAN 2014-08-06 CN claimed
EP-4225762-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2026-05-27 EP disclosed
US-12612416-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2026-04-28 US disclosed
US-20260098060-A1 MACROCYCLIC CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2026-04-09 US disclosed
US-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PEPTIDREAM INC (JP) 2026-01-15 US disclosed
EP-4534524-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PeptiDream Inc. (JP) 2025-04-09 EP disclosed
US-12240871-B2 Method for producing peptide compound NISSAN CHEMICAL CORPORATION (JP) 2025-03-04 US disclosed
CN-118852175-A Spiro compound crystal form and preparation method and application thereof 深圳信立泰药业股份有限公司 2024-10-29 CN disclosed
US-12060333-B2 Aminocarbamoyl compounds for the treatment of viral infections HOFFMANN-LA ROCHE INC. (US) 2024-08-13 US disclosed
US-5300492-A Suppressing levels of sex hormones in male or female mammals TAP PHARMACEUTICALS (US) 1994-04-05 US disclosed
US-5110904-A Luteinizing hormone releasing hormone; suppression of sex hormones ABBOTT LABORATORIES (US) 1992-05-05 US disclosed
EP-0400065-A4 LHRH ANALOGS 1991-03-13 EP disclosed
US-4997950-A Antisecretory MURPHY RICHARD FINBAR (US) 1991-03-05 US disclosed
EP-0413209-A1 LHRH analogs TAP Pharmaceuticals Inc. (US) 1991-02-20 EP disclosed
EP-0400065-A1 LHRH ANALOGS. ABBOTT LAB (US) 1990-12-05 EP disclosed
CN-1039597-A The antagonist of neurokinin A MERRELL DOW PHARMA (US) 1990-02-14 CN disclosed
WO-1989007450-A1 LHRH ANALOGS ABBOTT LABORATORIES (US) 1989-08-24 WO disclosed
EP-0328090-A2 LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 EP 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 (5 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-20260098060-A1 MACROCYCLIC CFTR MODULATORS CFTR, CLIC1, ARRB1 AAK1 2966/4885MMP13 4473/4885REN 1062/4885
US-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF NSUN3, BCAT1, SLC43A1 AAK1 4583/4885MMP13 2905/4885REN 503/4885
US-12612416-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, CLCN2, CLIC1 AAK1 4659/4885MMP13 2194/4885REN 800/4885
US-12240871-B2 Method for producing peptide compound NGLY1, NPPA, NPEPPS AAK1 1920/4885MMP13 2428/4885REN 1579/4885
US-12060333-B2 Aminocarbamoyl compounds for the treatment of viral infections SARS1, BCAT1, SLC1A5 AAK1 3562/4885MMP13 3933/4885REN 88/4885

“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.