SCHEMBL281623

SCHEMBL281623

CC(C(=O)O)N1C(=O)C(=O)c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.61
GAA P10253 2/20 0.61
KDM4E B2RXH2 1/20 0.61
CASP1 P29466 1/20 0.61
CASP7 P55210 1/20 0.61
CES1 P23141 8/20 0.51
LMNA P02545 2/20 0.49
TTR P02766 1/20 0.49
ALDH1A1 P00352 5/20 0.48
AGTR1 P30556 1/20 0.48
MEN1 O00255 1/20 0.48
BCHE P06276 2/20 0.46
CES2 O00748 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTT P42858 1/20 0.46
TGM2 P21980 1/20 0.43
ALDH2 P05091 1/20 0.42
CHRM1 P11229 1/20 0.42
ALDH3A1 P30838 1/20 0.42
CTRB1 P17538 1/20 0.42

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
SCHEMBL18258640 1.00 KMT2A (0.61) KMT2AGAAKDM4ECASP1CASP7
SCHEMBL18974288 1.00 KMT2A (0.61) KMT2AGAAKDM4ECASP1CASP7
SCHEMBL4803383 0.81 CES1 (0.53) KMT2AGAACES1TTRALDH1A1
SCHEMBL18281472 0.80 CES1 (0.57) KMT2AGAACES1TTRALDH1A1
SCHEMBL29472125 0.80 LMNA (0.71) KMT2AGAAKDM4ECASP1CASP7
SCHEMBL4199767 0.80 CES1 (0.57) KMT2AGAAKDM4ECES1LMNA
SCHEMBL7399848 0.80 LMNA (0.71) KMT2AGAAKDM4ECASP1CASP7
SCHEMBL478339 0.80 LMNA (0.71) KMT2AGAAKDM4ECASP1CASP7
SCHEMBL125972 0.80 LMNA (0.71) KMT2AGAAKDM4ECASP1CASP7
SCHEMBL18954547 0.80 ALDH1A1 (0.49) KMT2AKDM4ECASP1CASP7CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3098217-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID ESTER UNIV TOKYO SCIENCE FOUND (JP) 2018-04-25 EP disclosed
US-9796640-B2 Method for producing optically active carboxylic acid ester TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2017-10-24 US disclosed
WO-2017099695-A1 N-[(AMINOSULFONYL)PHENYL]-2-(1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE)-HYDRAZINECARBOTHIOAMIDE DERIVATIVES FOR TREATING CANCER AND IMMUNOLOGICAL DISORDERS ISTANBUL UNIVERSITESI REKTORLUGU (TR) 2017-06-15 WO disclosed
US-20170008820-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID ESTER TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2017-01-12 US disclosed
EP-3098217-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID ESTER Tokyo University of Science Foundation (JP) 2016-11-30 EP disclosed
EP-2428515-A1 Spiro-oxindole compounds and their uses as therapeutic agents Xenon Pharmaceuticals Inc. (CA) 2012-03-14 EP disclosed
EP-2073806-B1 USE OF SPIRO-OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2012-02-15 EP disclosed
EP-1888595-B1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2012-02-01 EP disclosed
US-8106087-B2 Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2012-01-31 US disclosed
US-20110251224-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2011-10-13 US disclosed
US-20110172282-A9 USE OF SPIRO-OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2011-07-14 US disclosed
US-7935721-B2 Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2011-05-03 US disclosed
US-7700641-B2 Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2010-04-20 US disclosed
US-20060252812-A1 Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2006-11-09 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-20170008820-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID ESTER ADH1A, ALDH1A2, ADH1C KMT2A 2579/4885GAA 1175/4885KDM4E 3163/4885
US-20110172282-A9 USE OF SPIRO-OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS KLK3, REN, AVPR1B KMT2A 1139/4885GAA 4380/4885KDM4E 3817/4885
US-20060252812-A1 Spiro-oxindole compounds and their uses as therapeutic agents OPRK1, OPRD1, SCN3A KMT2A 2666/4885GAA 4464/4885KDM4E 3433/4885
US-20110251224-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS OPRK1, OPRD1, SCN3A KMT2A 2666/4885GAA 4464/4885KDM4E 3433/4885

“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.