SCHEMBL2309890

SCHEMBL2309890

COc1ccc(Cl)c(CC(N)C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
HSD17B10 Q99714 2/20 0.44
HTR2A P28223 1/20 0.44
USP2 O75604 2/20 0.44
RGS12 O14924 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 1/20 0.44
CASP1 P29466 1/20 0.44
BRCA1 P38398 1/20 0.44
THPO P40225 1/20 0.44
CASP7 P55210 1/20 0.44
GNAI1 P63096 1/20 0.44
HIF1A Q16665 1/20 0.44
LDHA P00338 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL2309888 1.00 CTSD (0.46) CTSDTDP1HSD17B10HTR2AUSP2
SCHEMBL28373111 0.88 USP2 (0.44) TDP1HSD17B10USP2RGS12CYP3A4
SCHEMBL7997958 0.88 USP2 (0.44) TDP1HSD17B10USP2RGS12CYP3A4
SCHEMBL9091264 0.86 LDHA (0.56) CTSDTDP1HSD17B10LDHAKDM4E
SCHEMBL5285095 0.84 HTR2A (0.65) HSD17B10HTR2ACYP2C9MEN1KMT2A
SCHEMBL30861230 0.84 HTR2A (0.65) HSD17B10HTR2ACYP2C9MEN1KMT2A
SCHEMBL13957558 0.84 HSD17B10 (0.45) TDP1HSD17B10HTR2AUSP2RGS12
Hydrochloric Acid SCHEMBL31327595 0.82 HTR2A (0.63) HSD17B10HTR2AMEN1KMT2ATPH1
Hydrochloric Acid SCHEMBL6465670 0.81 KIF11 (0.48) TDP1HSD17B10USP2RGS12CYP3A4
Hydrochloric Acid SCHEMBL6465672 0.81 KIF11 (0.48) TDP1HSD17B10USP2RGS12CYP3A4

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-8288549-B2 Glycine B antagonist MERZ PHARMA GMBH & CO. KGAA (DE) 2012-10-16 US disclosed
US-8288549-B2 Glycine B antagonist MERZ PHARMA GMBH & CO. KGAA (DE) 2012-10-16 US disclosed
US-20110190342-A1 GLYCINE B ANTAGONIST HENRICH MARKUS 2011-08-04 US disclosed
US-20110190342-A1 GLYCINE B ANTAGONIST HENRICH MARKUS 2011-08-04 US disclosed
EP-2350014-A1 GLYCINE B ANTAGONISTS Merz Pharma GmbH & Co. KGaA (DE) 2011-08-03 EP disclosed
WO-2010037533-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO KGAA (DE) 2010-04-08 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-20110190342-A1 GLYCINE B ANTAGONIST GRIN2B, GLRB, GRIN2A CTSD 3056/4885TDP1 3340/4885HSD17B10 2499/4885

“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.