SCHEMBL17144142

SCHEMBL17144142

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ GAA P10253 1/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ CA1 P00915 4/20 0.39
▸ CA2 P00918 4/20 0.39
▸ CA12 O43570 3/20 0.39
▸ CA9 Q16790 3/20 0.39
▸ TDP1 Q9NUW8 4/20 0.39
▸ NPSR1 Q6W5P4 6/20 0.39
▸ MAPT P10636 4/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ POLB P06746 3/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL19741656 1.00 MEN1 (0.40) MEN1KMT2AGAABRD4CA1
SCHEMBL18286833 0.80 SYK (0.38) BRD4MAPTCYP3A4ATMALDH1A1
SCHEMBL19741720 0.80 NPSR1 (0.38) MEN1KMT2AGAABRD4CA1
SCHEMBL19741722 0.80 NPSR1 (0.38) MEN1KMT2AGAABRD4CA1
SCHEMBL508770 0.80 ACACB (0.46) CA1CA2CA12CA9MAPT
SCHEMBL30097021 0.80 ACACB (0.46) CA1CA2CA12CA9MAPT
SCHEMBL29604300 0.78 MEN1 (0.50) MEN1KMT2AGAACA1CA2
SCHEMBL16065209 0.76 CA12 (0.50) MEN1KMT2AGAABRD4CA1
SCHEMBL17144518 0.76 TRPV3 (0.50) MAPTALDH1A1KDM4E
SCHEMBL17144520 0.76 TRPV3 (0.50) MAPTALDH1A1KDM4E

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 MEN1 3018/4885KMT2A 44/4885GAA 2136/4885

“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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