SCHEMBL12138293

SCHEMBL12138293

CC(C)CCS(=O)(=O)NC(C)C

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNA5 P22460 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL17771171 0.86 MEN1 (0.39) MEN1ALDH1A1HTTKMT2A
SCHEMBL21503860 0.84 MEN1 (0.38) MEN1ALDH1A1HTTKMT2A
SCHEMBL22000502 0.79 ALDH1A1 (0.33) ALDH1A1
SCHEMBL13661777 0.77 KCNA5 (0.31) MEN1ALDH1A1HTTKMT2AKCNA5
SCHEMBL805360 0.77 ACACB (0.37)
SCHEMBL27794172 0.75 KCNA5 (0.31) MEN1ALDH1A1HTTKMT2AKCNA5
SCHEMBL20942728 0.75 NLRP3 (0.32)
SCHEMBL4242154 0.75 LMNA (0.36) ALDH1A1
SCHEMBL20034868 0.75 CA2 (0.30)
SCHEMBL25932730 0.75 PTGS1 (0.36)

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-9926321-B2 Hsp90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2018-03-27 US disclosed
US-8067415-B2 Compounds useful as antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-29 US disclosed
US-8067457-B2 Compounds useful as antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-29 US disclosed
US-20100016289-A1 Compounds Useful as Antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. 2010-01-21 US disclosed
US-20090197884-A1 Compounds Useful as Antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-08-06 US disclosed
US-20090163497-A1 Compounds Useful as Antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. 2009-06-25 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 (3 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-20100016289-A1 Compounds Useful as Antagonists of CCR2 CCR2, CCR1, CXCR3 MEN1 3116/4885ALDH1A1 1338/4885HTT 2985/4885
US-20090197884-A1 Compounds Useful as Antagonists of CCR2 CCR2, CCR1, CXCR3 MEN1 3227/4885ALDH1A1 1292/4885HTT 3072/4885
US-20090163497-A1 Compounds Useful as Antagonists of CCR2 CCR2, CCR1, CXCR3 MEN1 3393/4885ALDH1A1 1385/4885HTT 3261/4885

“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.