SCHEMBL19741716

SCHEMBL19741716

CSCCC(NCc1cc(C(=O)O)ccn1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KDM5B Q9UGL1 5/20 0.38
▸ KDM5C P41229 3/20 0.38
▸ KDM4A O75164 2/20 0.38
▸ KDM6B O15054 2/20 0.38
▸ KDM5A P29375 1/20 0.38
▸ KDM2B Q8NHM5 1/20 0.38
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KLK7 P49862 1/20 0.36
▸ ITGA4 P13612 1/20 0.36
▸ ITGB7 P26010 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KDM4B O94953 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35

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
SCHEMBL17144494 1.00 SIRT2 (0.40) SIRT2SMN1; SMN2KDM5BKDM5CKDM4A
SCHEMBL15994210 0.75 KDM5B (0.56) SIRT2KDM5BKDM5CKDM4AKDM6B
SCHEMBL508770 0.74 ACACB (0.46) SMN1; SMN2KDM5BKDM5CKDM4AKDM6B
SCHEMBL30097021 0.74 ACACB (0.46) SMN1; SMN2KDM5BKDM5CKDM4AKDM6B
SCHEMBL16291634 0.72 KDM5B (0.52) SIRT2KDM5BKDM5CKDM4AKDM6B
SCHEMBL18286833 0.71 SYK (0.38) KDM5BKDM5CKDM4AKDM6BKDM5A
SCHEMBL17763274 0.71 KDM5B (0.57) SIRT2KDM5BKDM5CKDM4AKDM6B
SCHEMBL27425092 0.70 KDM5B (0.42) SIRT2KDM5BKDM5CKDM4AKDM6B
SCHEMBL19741656 0.70 MEN1 (0.40) KDM4EALDH1A1MAPTKMT2ANPSR1
SCHEMBL17144142 0.70 MEN1 (0.40) KDM4EALDH1A1MAPTKMT2ANPSR1

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-20170369444-A1 INHIBITORS OF HISTONE DEMETHYLASES EPITHERAPEUTICS APS (DK) 2017-12-28 — — US 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 SIRT2 708/4885SMN1; SMN2 2826/4885KDM5B 33/4885

“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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