SCHEMBL2405587

SCHEMBL2405587

CC(C)c1cc(C(=O)Nc2ccc(C(=O)O)nc2)oc1C(C)C

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 14/20 0.50
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL2408526 0.88 MEN1 (0.43) P4HTMMEN1LMNAMAPTKMT2A
SCHEMBL2406820 0.81 NPC1 (0.53) MEN1LMNAKMT2A
SCHEMBL2406209 0.78 SMN1; SMN2 (0.59) MEN1KMT2A
SCHEMBL2411251 0.77 RARA (0.46) MEN1MAPTKMT2A
SCHEMBL2405520 0.77 PKM (0.51) MAPTKMT2A
SCHEMBL2403471 0.76 HCAR3 (0.51)
SCHEMBL2405034 0.76 AKR1C3 (0.44) MEN1LMNAMAPTKMT2A
SCHEMBL2405272 0.76 KMT2A (0.43) MEN1LMNAMAPTKMT2A
SCHEMBL2405376 0.76 NPC1 (0.62) MEN1MAPTKMT2A
SCHEMBL2405602 0.75 MAPT (0.52) MEN1LMNAMAPTKMT2A

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 6 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
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 P4HTM 2395/4885MEN1 1614/4885LMNA 783/4885

“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.