SCHEMBL4426896

SCHEMBL4426896

C[C@@H](O)Cc1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 2/20 0.50
TAAR1 Q96RJ0 4/20 0.47
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
NPC1 O15118 1/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MIF P14174 1/20 0.42
MAOB P27338 1/20 0.41

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
SCHEMBL4422549 1.00 SLC1A1 (0.50) SLC1A1TAAR1IDO1AGXTPPARG
SCHEMBL2427588 1.00 SLC1A1 (0.50) SLC1A1TAAR1IDO1AGXTPPARG
SCHEMBL8499668 0.86 SLC1A1 (0.49) SLC1A1TAAR1IDO1AGXTPPARG
SCHEMBL2965194 0.85 PNMT (0.47) TAAR1PPARGCYP2D6CYP2C9ALOX15
SCHEMBL8499664 0.85 SLC1A1 (0.47) SLC1A1TAAR1IDO1AGXTPPARG
SCHEMBL6224951 0.83 SLC1A1 (0.53) SLC1A1TAAR1IDO1AGXTPPARG
SCHEMBL2623871 0.83 TAAR1 (0.50) SLC1A1TAAR1IDO1AGXTCYP2D6
SCHEMBL10586409 0.82 SLC1A1 (0.49) SLC1A1TAAR1IDO1AGXTPPARG
SCHEMBL15178111 0.82 SLC1A1 (0.49) SLC1A1TAAR1IDO1AGXTPPARG
SCHEMBL3122648 0.82 ANPEP (0.46) SLC1A1TAAR1IDO1AGXTPPARG

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
EP-2319919-B1 Nitrilases BASF ENZYMES LLC (US) 2015-08-12 EP disclosed
EP-2115153-B1 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM BP CORP NORTH AMERICA INC (US) 2013-06-05 EP disclosed
EP-2327767-A1 Nitrilases Verenium Corporation (US) 2011-06-01 EP disclosed
EP-2327765-A1 Nitrilases Verenium Corporation (US) 2011-06-01 EP disclosed
EP-2319919-A1 Nitrilases Verenium Corporation (US) 2011-05-11 EP disclosed
US-20100273659-A1 Nitrilases, Nucleic Acids Encoding Them and Methods for Making and Using Them VERENIUM CORPORATION (US) 2010-10-28 US disclosed
EP-1463506-B1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES ASTRAZENECA AB (SE) 2009-10-21 EP disclosed
EP-2039762-A2 Nitralases Verenium Corporation (US) 2009-03-25 EP disclosed
WO-2008106662-A2 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM VERENIUM CORPORATION (US) 2008-09-04 WO disclosed
US-20070078168-A1 PYRIDINE CARBOXYLIC ACID DERIVATIVES AS GLUCOKINASE MODULATORS ASTRAZENECA AB (SE) 2007-04-05 US disclosed
US-20070078168-A1 PYRIDINE CARBOXYLIC ACID DERIVATIVES AS GLUCOKINASE MODULATORS ASTRAZENECA AB (SE) 2007-04-05 US disclosed
WO-2005044801-A1 PYRIDINE CARBOXYLIC ACID DERIVATIVES AS GLUCOKINASE MODULATORS ASTRAZENECA AB (SE) 2005-05-19 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-20070078168-A1 PYRIDINE CARBOXYLIC ACID DERIVATIVES AS GLUCOKINASE MODULATORS GCK, GCKR, GALK1 SLC1A1 658/4885TAAR1 3335/4885IDO1 3225/4885

“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.