SCHEMBL909602

SCHEMBL909602

CC(C(=O)O)c1nccs1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
CTSA P10619 10/20 0.40
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
FFAR2 O15552 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL11983388 0.88 ALDH1A1 (0.48) ALDH1A1CTSALMNATSHRFFAR2
SCHEMBL27657617 0.86 ALDH1A1 (0.45) ALDH1A1CTSALMNATSHRFFAR2
SCHEMBL1007892 0.82 ALDH1A1 (0.42) ALDH1A1CTSALMNATSHRFFAR2
SCHEMBL3561711 0.81 ALDH1A1 (0.41) ALDH1A1CTSALMNATSHRFFAR2
Oxalic Acid SCHEMBL7013062 0.77 ALDH1A1 (0.41) ALDH1A1CTSALMNATSHRNPC1
SCHEMBL908619 0.77 ALDH1A1 (0.49) ALDH1A1CTSALMNATSHRNPC1
SCHEMBL2398682 0.76 CTSA (0.40) ALDH1A1CTSANPC1RAB9A
SCHEMBL1582982 0.76 GRIK1 (0.40) ALDH1A1CTSALMNATSHRNPC1
SCHEMBL14433353 0.76 ALDH1A1 (0.39) ALDH1A1CTSALMNATSHRFFAR2
SCHEMBL11083464 0.76 GRIK1 (0.40) ALDH1A1CTSALMNATSHRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0021688-B1 7-(THIAZOLYLPROPIONAMIDO) CEPHALOSPORINS, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1983-07-13 EP claimed
CN-110740996-B Covalent small molecule DCN1 inhibitors and methods of treatment using the same 密执安大学评议会 2024-01-09 CN disclosed
EP-2978747-A1 BIARYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2016-02-03 EP disclosed
EP-2978754-A1 BIARYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2016-02-03 EP disclosed
US-9150526-B2 Biaryl-propionic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2015-10-06 US disclosed
CN-102056917-B Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists MERCK & CO INC 2014-11-05 CN disclosed
WO-2014154726-A1 BIARYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-10-02 WO disclosed
WO-2014154727-A1 BIARYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-10-02 WO disclosed
US-20140296296-A1 Biaryl-Propionic Acid Derivatives and their Use as Pharmaceuticals SANOFI (FR) 2014-10-02 US disclosed
CN-102391255-B Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists MERCK SHARP & DOHME 2014-07-09 CN disclosed
WO-2009124166-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK & CO., INC. (US) 2009-10-08 WO disclosed
WO-2009123870-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK & CO., INC. (US) 2009-10-08 WO disclosed
WO-2009123870-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK & CO., INC. (US) 2009-10-08 WO disclosed
WO-2005115148-A1 3-ARYL-3-HYDROXY-2-METHYLENEPROPIONIC ACID ESTERS AS FUNGICIDES CROPSOLUTION, INC. (US) 2005-12-08 WO disclosed
EP-1503997-A1 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-02-09 EP disclosed
WO-2003097617-A1 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-11-27 WO disclosed
US-4581353-A ANTIBIOTIC, BACTERICIDE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1986-04-08 US disclosed
EP-0021688-B1 7-(THIAZOLYLPROPIONAMIDO) CEPHALOSPORINS, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1983-07-13 EP disclosed
EP-0021688-A1 7-(Thiazolylpropionamido) cephalosporins, their preparation, and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1981-01-07 EP disclosed
EP-0021688-A1 7-(Thiazolylpropionamido) cephalosporins, their preparation, and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1981-01-07 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 (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-20140296296-A1 Biaryl-Propionic Acid Derivatives and their Use as Pharmaceuticals CTSV, F2R, CTSF ALDH1A1 269/4885CTSA 22/4885LMNA 620/4885

“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.