SCHEMBL4249865

SCHEMBL4249865

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

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
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 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
RGS12 O14924 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
NFKB1 P19838 1/20 0.43
CASP1 P29466 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
SCHEMBL11559690 1.00 SLC7A5 (0.47) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL4249863 1.00 SLC7A5 (0.47) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL9172559 0.87 SLC7A5 (0.55) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL4242713 0.80 ALDH1A1 (0.41) KMT2AALDH1A1CASP1POLBHPGD
SCHEMBL4242712 0.80 ALDH1A1 (0.41) KMT2AALDH1A1CASP1POLBHPGD
SCHEMBL14780592 0.80 HSD17B10 (0.49) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL8471826 0.80 ALDH1A1 (0.42) KMT2AALDH1A1MAPTHPGDHTT
SCHEMBL4242294 0.79 SLC7A5 (0.47) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL4242870 0.79 SLC7A5 (0.47) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL8306982 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124654-A1 Aryl and Heteroaryl Compounds, Compositions, Methods of Use TRANSTECH PHARMA, INC. 2009-05-14 US disclosed
EP-1888566-A1 2-[(ISOQUINOLIN-3-CARBONYL)AMINO]-PROPIONIC ACID DERIVATIVES AS INHIBITORS OF FACTORS XI AND IX FOR THE TREATMENT OF THROMBOSIS Transtech Pharma, Inc. (US) 2008-02-20 EP disclosed
US-20070254916-A1 Aryl and heteroaryl compounds, compositions, and methods of use MJALLI ADNAN M 2007-11-01 US disclosed
US-7208601-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, LLC 2007-04-24 US disclosed
WO-2006093823-A9 2- [ ISOQUINOLIN-S - CARBONYL ) AMINO] -PROPIONIC ACID DERIVATIVES AS INHIBITORS OF FACTORS XI AND IX FOR THE TREATMENT OF THROMBOSIS TRANSTECH PHARMA INC (US) 2006-11-02 WO disclosed
WO-2006093823-A1 2- [ ISOQUINOLIN-S - CARBONYL ) AMINO] -PROPIONIC ACID DERIVATIVES AS INHIBITORS OF FACTORS XI AND IX FOR THE TREATMENT OF THROMBOSIS TRANSTECH PHARMA, INC. (US) 2006-09-08 WO disclosed
US-20050171148-A1 Aryl and heteroaryl compounds, compositions, methods of use TRANSTECH PHARMA, LLC 2005-08-04 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 (3 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-20090124654-A1 Aryl and Heteroaryl Compounds, Compositions, Methods of Use F3, F12, CFH SLC7A5 2926/4885PKM 4632/4885PTGS1 2574/4885
US-20070254916-A1 Aryl and heteroaryl compounds, compositions, and methods of use TFPI, F9, F3 SLC7A5 2857/4885PKM 2308/4885PTGS1 1620/4885
US-20050171148-A1 Aryl and heteroaryl compounds, compositions, methods of use TFPI, F3, F2 SLC7A5 2811/4885PKM 2190/4885PTGS1 1445/4885

“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.