SCHEMBL15601047

SCHEMBL15601047

NC(c1ccc(Cl)cc1)C1(C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.42
MEN1 O00255 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
KMT2A Q03164 2/20 0.42
BRD4 O60885 1/20 0.42
GABBR2 O75899 3/20 0.41
GABBR1 Q9UBS5 3/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
NFKB1 P19838 1/20 0.41
DRD3 P35462 1/20 0.41
BLM P54132 1/20 0.41
CYP1A2 P05177 1/20 0.41
THRB P10828 1/20 0.41
ADRB2 P07550 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38

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
SCHEMBL15601041 0.77 MEN1 (0.49) CYP2C9MEN1CYP2D6CYP2C19KMT2A
SCHEMBL9486483 0.75 AKR1C1 (0.43) MEN1CYP2D6KMT2AADRB2HDAC4
SCHEMBL3830478 0.72 HDAC4 (0.39) CYP2C9MEN1CYP2D6CYP2C19KMT2A
SCHEMBL1662269 0.70 HDAC4 (0.44) CYP2C9CYP2D6TSHRCYP3A4CYP1A2
SCHEMBL2896976 0.69 CYP2C9 (0.55) CYP2C9MEN1CYP2D6CYP2C19KMT2A
SCHEMBL11733722 0.69 CYP2C9 (0.55) CYP2C9MEN1CYP2D6CYP2C19KMT2A
SCHEMBL390594 0.69 CYP2C9 (0.55) CYP2C9MEN1CYP2D6CYP2C19KMT2A
SCHEMBL3834022 0.68 SLC6A4 (0.44) BRD4LMNATSHRCYP3A4ADRB2
Hydrochloric Acid SCHEMBL29398375 0.67 CYP2C9 (0.53) CYP2C9MEN1CYP2D6CYP2C19KMT2A
Hydrochloric Acid SCHEMBL28524755 0.67 CYP2C9 (0.53) CYP2C9MEN1CYP2D6CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447038-B2 Substituted B-amino acid derivatives as CXCR3 receptor antagonists SANOFI (FR) 2016-09-20 US disclosed
US-9447038-B2 Substituted B-amino acid derivatives as CXCR3 receptor antagonists SANOFI (FR) 2016-09-20 US disclosed
EP-2852578-B1 SUBSTITUTED ß-AMINO ACID DERIVATIVES AS CXCR3 RECEPTOR ANTAGONISTS SANOFI SA (FR) 2016-04-27 EP disclosed
US-20150073004-A1 SUBSTITUTED B-AMINO ACID DERIVATIVES AS CXCR3 RECEPTOR ANTAGONISTS SANOFI (FR) 2015-03-12 US disclosed
US-20150073004-A1 SUBSTITUTED B-AMINO ACID DERIVATIVES AS CXCR3 RECEPTOR ANTAGONISTS SANOFI (FR) 2015-03-12 US disclosed
WO-2013174485-A1 SUBSTITUTED ß-AMINO ACID DERIVATIVES AS CXCR3 RECEPTOR ANTAGONISTS SANOFI (FR) 2013-11-28 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-20150073004-A1 SUBSTITUTED B-AMINO ACID DERIVATIVES AS CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 CYP2C9 3446/4885MEN1 4459/4885CYP2D6 2841/4885

“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.