SCHEMBL8306982

SCHEMBL8306982

Cc1ccc(C[C@H](N)C(=O)O)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.47
PKM P14618 2/20 0.47
PTGS1 P23219 2/20 0.47
ALPI P09923 1/20 0.47
XIAP P98170 1/20 0.47
USP2 O75604 3/20 0.43
MAPT P10636 3/20 0.43
CYP2C9 P11712 2/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
ALOX15 P16050 2/20 0.43
HIF1A Q16665 2/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 2/20 0.43
RECQL P46063 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
BLM P54132 2/20 0.43
RGS12 O14924 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL28318850 1.00 SLC7A5 (0.47) SLC7A5PKMPTGS1ALPIXIAP
Hydrochloric Acid SCHEMBL30461880 0.98 SLC7A5 (0.46) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL9172559 0.87 SLC7A5 (0.55) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL14780592 0.80 HSD17B10 (0.49) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL2921395 0.80 PRSS1 (0.47) MAPTALDH1A1KMT2AKDM4ERECQL
SCHEMBL1848010 0.79 DAO (0.39) ALDH1A1KMT2ATDP1POLBTHRB
SCHEMBL15390388 0.79 SLC7A5 (0.47) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL11559690 0.79 SLC7A5 (0.47) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL4249863 0.79 SLC7A5 (0.47) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL4249865 0.79 SLC7A5 (0.47) SLC7A5PKMPTGS1ALPIXIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130274261-A1 METHODS FOR TREATING PULMONARY HYPERTENSION LEXICON PHARMACEUTICALS, INC. 2013-10-17 US disclosed
US-20110263601-A1 METHODS OF TREATING ULCERATIVE COLITIS LEXICON PHARMACEUTICALS, INC. 2011-10-27 US disclosed
US-20100317664-A1 METHODS OF AFFECTING GASTROINTESTINAL TRANSIT AND GASTRIC EMPTYING, AND COMPOUNDS USEFUL THEREIN LEXICON PHARMACEUTICALS, INC. 2010-12-16 US disclosed
US-20090005381-A1 METHODS OF TREATING SEROTONIN-MEDIATED DISEASES AND DISORDERS LEXICON PHARMACEUTICALS, INC. 2009-01-01 US disclosed
EP-0581250-B1 Process for biotechnical preparation of L-thienylalanines in enantiomere pure form from 2-hydroxy-3-thienyl-acrylic acids and their use HOECHST AG (DE) 1999-03-03 EP disclosed
US-5780640-A Process for the biotechnological preparation of L-thienylalanines in enantiomerically pure form from 2-hydroxy-3-thienylacrylic acids and their use HOECHST AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
US-5688672-A Process for the biotechnological preparation of L-thienylalanines in enantiomerically pure form from 2-hydroxy-3-thienylacrylic acids HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-18 US disclosed
US-5480786-A Process for the biotechnological preparation of l-thienylalanines in enantiomerically pure form from 2-hydroxy-3-thienylacrylic acids, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1996-01-02 US disclosed
EP-0581250-A2 Process for biotechnical preparation of L-thienylalanines in enantiomere pure form from 2-hydroxy-3-thienyl-acrylic acids and their use HOECHST AKTIENGESELLSCHAFT (DE) 1994-02-02 EP disclosed
EP-0005647-B1 HYDANTOIN COMPOUNDS, THEIR PREPARATION AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM Lilly Industries Limited (GB) 1982-06-09 EP disclosed
US-4293563-A ANTIASTHMATICS LILLY INDUSTRIES LIMITED (GB) 1981-10-06 US disclosed
US-4241073-A ASTHMA LILLY INDUSTRIES LIMITED (GB) 1980-12-23 US disclosed
EP-0005647-A1 Hydantoin compounds, their preparation and pharmaceutical formulations containing them Lilly Industries Limited (GB) 1979-11-28 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 (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-20130274261-A1 METHODS FOR TREATING PULMONARY HYPERTENSION TPH1, TPH2, PTGIS SLC7A5 1902/4885PKM 1328/4885PTGS1 7/4885
US-20110263601-A1 METHODS OF TREATING ULCERATIVE COLITIS TPH2, TPH1, HNMT SLC7A5 2776/4885PKM 2653/4885PTGS1 55/4885
US-20090005381-A1 METHODS OF TREATING SEROTONIN-MEDIATED DISEASES AND DISORDERS TPH1, TPH2, HNMT SLC7A5 1017/4885PKM 2587/4885PTGS1 276/4885
US-20100317664-A1 METHODS OF AFFECTING GASTROINTESTINAL TRANSIT AND GASTRIC EMPTYING, AND COMPOUNDS USEFUL THEREIN TPH1, TPH2, SLC10A2 SLC7A5 213/4885PKM 1644/4885PTGS1 175/4885

“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.