SCHEMBL2404558

SCHEMBL2404558

CC(C)c1cc(C(=O)Nc2ccc(C(=O)O)cc2)sc1C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MITF O75030 1/20 0.48
PKM P14618 1/20 0.45
GAA P10253 3/20 0.43
NPC1 O15118 2/20 0.43
PDE7A Q13946 1/20 0.43
FFAR1 O14842 1/20 0.43
TP53 P04637 2/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NR1H4 Q96RI1 2/20 0.43
CPT1A P50416 1/20 0.43
CPT1B Q92523 1/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
EPHX2 P34913 1/20 0.42

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
SCHEMBL2406105 0.86 NPC1 (0.52) MEN1KMT2APKMGAANPC1
SCHEMBL2403616 0.83 PKM (0.51) KMT2APKMGAAHTTLMNA
SCHEMBL2407636 0.82 P4HTM (0.54) MEN1KMT2AMAPT
SCHEMBL2406481 0.82 HDAC1 (0.44) MEN1KMT2APKMGAANPC1
SCHEMBL2406922 0.82 RARA (0.47) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2404005 0.81 HCAR3 (0.52) NPC1RAB9ARARARARBRARG
SCHEMBL2405840 0.80 KCNK3 (0.46) MEN1KMT2AGAANPC1PDE7A
SCHEMBL2411219 0.80 RARA (0.44) MEN1KMT2AGAANPC1TP53
SCHEMBL2405253 0.77 EGFR (0.44) MEN1KMT2AGAANPC1TP53
SCHEMBL2405010 0.77 KDM4E (0.47) MEN1KMT2APKMALDH1A1MAPT

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
US-8722730-B2 5-membered heterocyclic compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2014-05-13 US disclosed
US-8722730-B2 5-membered heterocyclic compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2014-05-13 US disclosed
US-20110213156-A1 5-MEMBERED HETEROCYCLIC COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-09-01 US disclosed
US-20110213156-A1 5-MEMBERED HETEROCYCLIC COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-09-01 US disclosed
EP-2189445-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUND Research Foundation Itsuu Laboratory (JP) 2010-05-26 EP 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-20110213156-A1 5-MEMBERED HETEROCYCLIC COMPOUND RXRA, RXRG, RXRB MEN1 1614/4885KMT2A 2788/4885MITF 694/4885

“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.