SCHEMBL2771369

SCHEMBL2771369

COC(=O)C1CCN1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.43
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KCNN4 O15554 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP2 P08253 1/20 0.40
ANPEP P15144 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FKBP1A P62942 1/20 0.40
CHRM3 P20309 1/20 0.40
LTA4H P09960 2/20 0.39
ALOX5 P09917 1/20 0.39

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
SCHEMBL28457749 1.00 KMT2A (0.44) KMT2AALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL26062664 0.91 LTA4H (0.46) KMT2AALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL31696763 0.91 LTA4H (0.46) KMT2AALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL18040348 0.90 FKBP1A (0.44) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL18040349 0.90 FKBP1A (0.44) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL18066977 0.90 FKBP1A (0.44) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6592636 0.85 LTA4H (0.42) KMT2AALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL992574 0.84 KCNN4 (0.43) KMT2AALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL992573 0.84 KCNN4 (0.43) KMT2AALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL2298094 0.84 KCNN4 (0.43) KMT2AALDH1A1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111526880-A Integrin ligands and uses thereof 箭头药业股份有限公司 2020-08-11 CN disclosed
EP-1057894-B1 Esterase genes and uses of the same SUMITOMO CHEMICAL CO (JP) 2010-04-28 EP disclosed
EP-1316610-B1 Preparation comprising an enzyme for asymmetrical hydrolysis of N-substituted C3-C4 cyclic imino-2-carboxylic acid ester and method of using the same SUMITOMO CHEMICAL CO (JP) 2006-05-03 EP disclosed
EP-1308519-B1 Process for improving optical purity of azetidine-2-carboxylic acid SUMITOMO CHEMICAL CO (JP) 2006-04-19 EP disclosed
US-6936445-B2 Enzyme preparation and method of using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-08-30 US disclosed
EP-1201653-B1 Method for racemization of optically active azetidine-2-Carboxylate SUMITOMO CHEMICAL CO (JP) 2005-04-20 EP disclosed
US-6828129-B2 Nucleotide sequences coding polypeptide for use as tool in genetic engineering SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2004-12-07 US disclosed
US-6812008-B2 NUCLEOTIDE SEQUENCES CODING POLYPEPTIDE FOR USE IN THE GENERATION OF S-N-BENZYLAZETIDINE-2-CARBOXYLIC ACID SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-02 US disclosed
EP-0957089-B1 Method for racemization of optically active azetidine-2-carboxylate SUMITOMO CHEMICAL CO (JP) 2003-09-17 EP disclosed
US-20030124683-A1 Enzyme preparation and method of using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-07-03 US disclosed
US-6537790-B1 Isolated protein of given sequence which can produce N-substituted cyclic imino acids by hydrolization SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-25 US disclosed
US-20020173013-A1 Esterace genes and uses of the same SUMITOMO CHEMICAL COMPANY, LIMITED 2002-11-21 US disclosed
US-20020164727-A1 Nucleotide sequences coding polypeptide for use as tool in genetic engineering SUMITOMO CHEMICAL COMPANY, LIMITED 2002-11-07 US disclosed
US-6410279-B1 GENERATING PREFERENTIAL COMPOUND IN SOLUTION; OBTAIN N-SUBSTITUTED AZETIDINE-2-CARBOXYLIC ACID ESTER, INCUBATE WITH PREFERENTIAL ENZYME, RECOVER COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-25 US disclosed
EP-1201653-A1 Method for racemization of optically active azetidine-2-Carboxylate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-05-02 EP disclosed
US-6166224-A Method for racemization of optically active azetidine-2-carboxylate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-12-26 US disclosed
US-6162621-A Process for producing optically active azetidine-2-carboxylic acid derivative SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2000-12-19 US disclosed
EP-1057894-A2 Esterase genes and uses of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-12-06 EP disclosed
EP-0957089-A1 Method for racemization of optically active azetidine-2-carboxylate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-11-17 EP disclosed
EP-0855446-A2 Process for producing optically active azetidine-2-carboxylic acid derivative SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-07-29 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 (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-20020164727-A1 Nucleotide sequences coding polypeptide for use as tool in genetic engineering IMPDH2, INHA, IMPDH1 KMT2A 4052/4885ALDH1A1 2545/4885SLC6A2 1713/4885
US-20020173013-A1 Esterace genes and uses of the same ACOT7, COASY, IMPA1 KMT2A 2427/4885ALDH1A1 707/4885SLC6A2 3432/4885

“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.