SCHEMBL17144520

SCHEMBL17144520

CC(C)C[C@@H](CO)NCc1cc(C(=O)O)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 2/20 0.50
▸ KDM5B Q9UGL1 12/20 0.45
▸ KDM4D Q6B0I6 3/20 0.45
▸ KDM5C P41229 6/20 0.44
▸ KDM5A P29375 6/20 0.44
▸ KDM4A O75164 4/20 0.44
▸ KDM6B O15054 3/20 0.44
▸ KDM2B Q8NHM5 2/20 0.44
▸ KDM4C Q9H3R0 6/20 0.40
▸ KDM4B O94953 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ KDM2A Q9Y2K7 2/20 0.39
▸ KDM3A Q9Y4C1 2/20 0.39
▸ TET3 O43151 1/20 0.39
▸ BBOX1 O75936 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ASPH Q12797 1/20 0.39
▸ TET2 Q6N021 1/20 0.39
▸ ALKBH5 Q6P6C2 1/20 0.39

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
SCHEMBL17144518 1.00 TRPV3 (0.50) TRPV3KDM5BKDM4DKDM5CKDM5A
SCHEMBL17144521 0.82 KDM5B (0.45) TRPV3KDM5BKDM4DKDM5CKDM5A
SCHEMBL17670508 0.81 TRPV3 (0.43) TRPV3
SCHEMBL17670370 0.80 TRPV3 (0.42) TRPV3
SCHEMBL18708386 0.78 KDM5B (0.47) TRPV3KDM5BKDM4DKDM5CKDM5A
SCHEMBL16291806 0.77 KDM5B (0.53) KDM5BKDM4DKDM5CKDM5AKDM4A
SCHEMBL19664325 0.77 KDM5B (0.44) KDM5BKDM4DKDM5CKDM5AKDM4A
SCHEMBL16291524 0.77 KDM5B (0.44) KDM5BKDM4DKDM5CKDM5AKDM4A
SCHEMBL17144445 0.77 KDM4D (0.45) TRPV3KDM5BKDM4DKDM5CKDM5A
SCHEMBL19741672 0.77 KDM4D (0.45) TRPV3KDM5BKDM4DKDM5CKDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170369444-A1 INHIBITORS OF HISTONE DEMETHYLASES EPITHERAPEUTICS APS (DK) 2017-12-28 — — US claimed
EP-3126345-A1 INHIBITORS OF HISTONE DEMETHYLASES Gilead Sciences, Inc. (US) 2017-02-08 — — EP claimed
WO-2015153498-A1 INHIBITORS OF HISTONE DEMETHYLASES EPITHERAPEUTICS, APS (DK) 2015-10-08 — — WO claimed
US-20170369444-A1 INHIBITORS OF HISTONE DEMETHYLASES EPITHERAPEUTICS APS (DK) 2017-12-28 — — 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-20170369444-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM3A, KDM1A TRPV3 4324/4885KDM5B 33/4885KDM4D 53/4885

“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.

Send feedback