SCHEMBL2175928

SCHEMBL2175928

CCOC(=O)c1cc(OCC(C)C)cc(C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
NR1H4 Q96RI1 4/20 0.45
PLA2G2A P14555 1/20 0.44
MAPT P10636 2/20 0.43
GPR35 Q9HC97 1/20 0.43
MYC P01106 1/20 0.43
MAX P61244 1/20 0.43
RARA P10276 1/20 0.43
RARB P10826 1/20 0.43
RARG P13631 1/20 0.43
GCK P35557 1/20 0.43
BRD4 O60885 2/20 0.42
BRD2 P25440 2/20 0.42

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
SCHEMBL17060023 0.87 NR1H4 (0.54) NR1H4PLA2G2AMAPTRARARARB
SCHEMBL3176831 0.86 CYP2C9 (0.58) CYP2C9CYP2C19CA12CA1CA2
SCHEMBL2177328 0.85 NR1H4 (0.50) CA12CA1CA2CA7CA9
SCHEMBL4276418 0.84 PLA2G2A (0.54) NR1H4PLA2G2AMAPTRARARARB
SCHEMBL3327442 0.82 CYP2C19 (0.70) CYP2C9CYP2C19CA12CA1CA2
SCHEMBL7234951 0.82 CYP2C19 (0.70) CYP2C9CYP2C19CA12CA1CA2
SCHEMBL3855078 0.82 CYP2C9 (0.54) CYP2C9CYP2C19CA12CA1CA2
SCHEMBL27584673 0.81 TPMT (0.52) NR1H4PLA2G2ARARARARBRARG
SCHEMBL4281283 0.81 ALDH1A1 (0.49) NR1H4MAPTGPR35RARARARB
SCHEMBL6578061 0.81 MAPT (0.53) CYP2C9CYP2C19CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-07-12 US disclosed
WO-2011081280-A2 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2011-07-07 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-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF GCK, GCKR, HK1 CYP2C9 2499/4885CYP2C19 2244/4885CA12 4745/4885

“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.