SCHEMBL210422

SCHEMBL210422

O=C(CC1CCN(C(=O)O)CC1)Nc1nccs1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.71
POLB P06746 2/20 0.53
MAPT P10636 1/20 0.52
CYP2D6 P10635 1/20 0.52
ALDH1A1 P00352 2/20 0.50
HTT P42858 2/20 0.49
GRIN2B Q13224 1/20 0.47
TSHR P16473 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ACP1 P24666 1/20 0.47
HRH1 P35367 1/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL12824492 0.84 EPHX2 (1.00) EPHX2POLBMAPTALDH1A1HTT
SCHEMBL209423 0.83 GLS (0.62) EPHX2POLBMAPTCYP2D6HTT
SCHEMBL3897364 0.82 GRIN2B (0.67) EPHX2POLBMAPTCYP2D6ALDH1A1
SCHEMBL210527 0.79 KCNA5 (0.64) SMN1; SMN2
SCHEMBL3449454 0.77 MEN1 (0.46) EPHX2MAPTCYP2D6ALDH1A1HTT
Hydrochloric Acid SCHEMBL11314164 0.73 EPHX2 (0.73) EPHX2POLBMAPTALDH1A1HTT
SCHEMBL10282859 0.71 LMNA (0.62) MAPTALDH1A1
SCHEMBL15331097 0.71 LMNA (0.59) EPHX2MAPTALDH1A1
SCHEMBL27008508 0.71 ALOX15 (0.46) EPHX2CYP2D6ALDH1A1HTTKDM4E
SCHEMBL27008564 0.71 ALOX15 (0.46) EPHX2CYP2D6ALDH1A1HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963315-B1 ENZYME INHIBITORS CANCER REC TECH LTD (GB) 2014-10-08 EP disclosed
US-8088761-B2 Enzyme inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-01-03 US disclosed
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 US disclosed
EP-1963315-A2 ENZYME INHIBITORS The Institute of Cancer Research (GB) 2008-09-03 EP disclosed
WO-2007072017-A2 ENZYME INHIBITORS THE INSTITUTE OF CANCER RESEARCH (GB) 2007-06-28 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-20090247507-A1 Enzyme Inhibitors AURKC, AURKB, AURKA EPHX2 1006/4885POLB 476/4885MAPT 2154/4885

“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.