SCHEMBL23327339

SCHEMBL23327339

CCc1cc(C(=O)O)[nH]c1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.43
HSD17B10 Q99714 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43
DAO P14920 1/20 0.43
SRD5A2 P31213 1/20 0.43
PPARG P37231 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.42
RHEB Q15382 1/20 0.42
TP53 P04637 1/20 0.41
PIN1 Q13526 1/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL20568698 0.84 GAA (0.49) HPGDHSD17B10KDM4EMAPTALDH1A1
SCHEMBL14741008 0.79 PDE3B (0.52) HPGDHSD17B10KDM4EMAPTPPARG
SCHEMBL1259832 0.77 HSD17B10 (0.47) HPGDHSD17B10KDM4EMAPTDAO
SCHEMBL4048274 0.71 FLT3 (0.60) HPGDHSD17B10KDM4EMAPTDAO
SCHEMBL15729001 0.69 KDM4E (0.47) HPGDHSD17B10KDM4EALDH1A1TP53
SCHEMBL13626123 0.68 EIF4A3 (0.42) ALDH1A1PIN1CYP2C19GPR35SMN1; SMN2
SCHEMBL25054103 0.68 PDE4A (0.53) HPGDHSD17B10KDM4EMAPTDAO
SCHEMBL14208058 0.68 DAO (0.58) HPGDHSD17B10KDM4EMAPTDAO
SCHEMBL5268697 0.67 FABP3 (0.43) HPGDKDM4EPPARGALDH1A1MEN1
SCHEMBL11364006 0.67 ALDH1A1 (0.45) HPGDKDM4EMAPTALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-05-13 US 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-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES MGAM, GAA, ALPI HPGD 372/4885HSD17B10 516/4885KDM4E 2289/4885

“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.