SCHEMBL288823

SCHEMBL288823

C[C@](N)(C(=O)O)c1nccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
NR3C1 P04150 2/20 0.37
TSHR P16473 1/20 0.37
NOS1 P29475 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTT P42858 1/20 0.36
NPC1 O15118 3/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CNR2 P34972 1/20 0.34
MAP3K14 Q99558 1/20 0.34
RAB9A P51151 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 1/20 0.34
ADORA2A P29274 1/20 0.34
HSPA5 P11021 1/20 0.33

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
SCHEMBL288966 1.00 ALDH1A1 (0.42) ALDH1A1NR3C1TSHRNOS1HSD17B10
SCHEMBL27815006 1.00 ALDH1A1 (0.42) ALDH1A1NR3C1TSHRNOS1HSD17B10
SCHEMBL3180703 0.82 ALDH1A1 (0.44) ALDH1A1NR3C1HTTNPC1MEN1
SCHEMBL28647935 0.81 ALDH1A1 (0.42) ALDH1A1NR3C1HTTNPC1MEN1
SCHEMBL18074328 0.77 ALDH1A1 (0.39) ALDH1A1NR3C1HTTMEN1KMT2A
SCHEMBL21552486 0.77 ALDH1A1 (0.39) ALDH1A1NR3C1HTTNPC1MEN1
SCHEMBL28639887 0.76 ALDH1A1 (0.41) ALDH1A1NR3C1TSHRNOS1HSD17B10
SCHEMBL2355729 0.75
SCHEMBL10714349 0.75 ALDH1A1 (0.38) ALDH1A1NR3C1TSHRNOS1HSD17B10
SCHEMBL9372859 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3970801-A1 RAS INHIBITORY PEPTIDE Ichimaru Pharcos Co., Ltd. (JP) 2022-03-23 EP claimed
CN-113727991-A Ras inhibitory peptide 一丸自然美健有限公司 2021-11-30 CN claimed
WO-2020230780-A1 Ras INHIBITORY PEPTIDE 一丸ファルコス株式会社 2020-11-19 WO claimed
WO-2020081958-A2 COMPOSITIONS AND METHODS FOR IDENTIFYING MUTATIONS OF GENES OF MULTI-GENE SYSTEMS HAVING IMPROVED FUNCTION THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2020-04-23 WO claimed
US-20200095275-A1 SITE-SELECTIVE FUNCTIONALIZATION OF PROTEINS USING TRACELESS AFFINITY LABELS KRANTZ ALEXANDER (US) 2020-03-26 US claimed
CN-109294966-A A kind of the Corynebacterium glutamicum recombinant bacterium and its construction method of high yield L-Leu 江南大学 2019-02-01 CN claimed
EP-3413921-A1 SITE-SELECTIVE FUNCTIONALIZATION OF PROTEINS USING TRACELESS AFFINITY LABLES Krantz, Alexander (US) 2018-12-19 EP claimed
CN-108841758-A Corynebacterium glutamicum mutant and its application in L-Leu production 大连医诺生物股份有限公司 2018-11-20 CN claimed
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2018-07-10 US claimed
EP-2836485-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2018-01-10 EP claimed
US-20120270881-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-10-25 US claimed
EP-2499148-A2 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS Polyphor Ag (CH) 2012-09-19 EP claimed
US-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-08-09 US claimed
WO-2011014973-A2 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2011-02-10 WO claimed
US-7419810-B2 Arginine repressor deficient strain of coryneform bacterium and method for producing L-arginine AJINOMOTO CO., INC. (JP) 2008-09-02 US claimed
US-20070031946-A1 Arginine repressor deficient strain of coryneform bacterium and method for producing L-arginine AJINOMOTO CO., INC. (JP) 2007-02-08 US claimed
US-7160705-B2 Arginine repressor deficient strain of coryneform bacterium and method for producing L-arginine AJINOMOTO CO., INC. (JP) 2007-01-09 US claimed
US-4393135-A GENETICALLY ENGINEERED ESCHERICHIA AJINOMOTO COMPANY INCORPORATED (JP) 1983-07-12 US claimed
US-4388405-A ESCHERICHIA INCORPORATED WITH HYBRID PLASMID AJINOMOTO COMPANY INCORPORATED (JP) 1983-06-14 US claimed
EP-0030391-A2 Method for producing L-glutamic acid by fermentation and a method for producing a new microorganism AJINOMOTO CO., INC. (JP) 1981-06-17 EP claimed

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-20200095275-A1 SITE-SELECTIVE FUNCTIONALIZATION OF PROTEINS USING TRACELESS AFFINITY LABELS MYCBP, FABP3, STUB1 ALDH1A1 2572/4885NR3C1 3657/4885TSHR 2656/4885
US-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS HTR2B, MC1R, HTR1A ALDH1A1 4268/4885NR3C1 807/4885TSHR 140/4885
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds CTSE, CTSB, CTSS ALDH1A1 4415/4885NR3C1 1069/4885TSHR 28/4885
US-20120270881-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS KCNB1, KCNAB1, KCNMB1 ALDH1A1 4142/4885NR3C1 1892/4885TSHR 968/4885

“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.