SCHEMBL17144516

SCHEMBL17144516

CC(C)C[C@H](NCc1cc(C(=O)O)ccn1)C(=O)NCC1CCS(=O)(=O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HTR5A P47898 1/20 0.36
▸ IRAK4 Q9NWZ3 4/20 0.36
▸ TNF P01375 2/20 0.36
▸ KDM5B Q9UGL1 3/20 0.35
▸ NAMPT P43490 2/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ KDM6B O15054 1/20 0.34
▸ KDM4A O75164 1/20 0.34
▸ KDM5A P29375 1/20 0.34
▸ KDM5C P41229 1/20 0.34
▸ KDM2B Q8NHM5 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ ACACB O00763 1/20 0.33
▸ ACACA Q13085 1/20 0.33

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
SCHEMBL16291524 0.74 KDM5B (0.44) KDM4EKDM5BCTSKKDM6BKDM4A
SCHEMBL19664325 0.74 KDM5B (0.44) KDM4EKDM5BCTSKKDM6BKDM4A
SCHEMBL19741724 0.70 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2MAPK1KDM5BKMT2A
SCHEMBL19741721 0.70 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2MAPK1KDM5BKMT2A
SCHEMBL17144520 0.69 TRPV3 (0.50) ALDH1A1KDM4EKDM5BKDM6BKDM4A
SCHEMBL17144518 0.69 TRPV3 (0.50) ALDH1A1KDM4EKDM5BKDM6BKDM4A
SCHEMBL19741660 0.68 KDM5A (0.39) SMN1; SMN2MAPK1KDM4EKDM5BKDM5A
SCHEMBL19741664 0.68 KDM5A (0.39) SMN1; SMN2MAPK1KDM4EKDM5BKDM5A
SCHEMBL19741636 0.67 KDM4C (0.40) ALDH1A1SMN1; SMN2KDM5BKMT2AKDM6B
SCHEMBL19741637 0.67 KDM4C (0.40) ALDH1A1SMN1; SMN2KDM5BKMT2AKDM6B

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 ALDH1A1 1473/4885SMN1; SMN2 2826/4885MAPK1 3575/4885

“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.

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