SCHEMBL6539276

SCHEMBL6539276

CC(C)NC(=O)COc1ccc(C=O)cc1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
POLB P06746 1/20 0.56
MAPT P10636 1/20 0.56
PKM P14618 1/20 0.56
LMNA P02545 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GAA P10253 2/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
THRB P10828 1/20 0.48

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
SCHEMBL20024729 0.89 MAPT (0.57) ALDH1A1POLBMAPTPKMLMNA
SCHEMBL15331535 0.88 SMN1; SMN2 (0.68) ALDH1A1LMNAGAASMN1; SMN2KDM4E
SCHEMBL29952888 0.87 ALDH1A1 (0.60) ALDH1A1LMNAL3MBTL1GAASMN1; SMN2
SCHEMBL15332475 0.85 KDM4E (0.60) ALDH1A1LMNAL3MBTL1GAASMN1; SMN2
SCHEMBL2560871 0.85 ALDH1A1 (0.51) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL2557734 0.84 SMN1; SMN2 (0.70) ALDH1A1POLBLMNAL3MBTL1GAA
SCHEMBL2558218 0.84 ALDH1A1 (0.57) ALDH1A1LMNAL3MBTL1GAASMN1; SMN2
SCHEMBL2556150 0.84 ALDH1A1 (0.57) ALDH1A1LMNAL3MBTL1GAASMN1; SMN2
SCHEMBL20032346 0.82 SMN1; SMN2 (0.64) ALDH1A1POLBMAPTPKMLMNA
SCHEMBL31074700 0.82 HSD17B10 (0.52) ALDH1A1POLBMAPTPKMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3743420-B1 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA PLC (GB) 2021-12-15 EP disclosed
WO-2019145729-A9 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA PLC (GB) 2020-07-30 WO disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
WO-2019145729-A1 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA PLC (GB) 2019-08-01 WO disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
US-6812235-B2 2-ACYLAMINO- BETA -ALANINE DERIVATIVES AND A PHARMACEUTICALLY ACCEPTABLE SALT, USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-02 US disclosed
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ASTELLAS PHARMA INC. (JP) 2003-01-23 US disclosed
EP-1255748-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-13 EP disclosed
WO-2001060813-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 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 (1 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-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ARRB1, ADRB1, GLRB ALDH1A1 578/4885POLB 3534/4885MAPT 2594/4885

“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.