SCHEMBL6038169

SCHEMBL6038169

COc1ccc(C(=O)NS(=O)(=O)c2ccc(CCCNC(=O)COCc3ccc(F)cc3)cc2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
BCL2L1 Q07817 1/20 0.44
MCL1 Q07820 1/20 0.44
SMPD1 P17405 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 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
SCHEMBL6037941 0.86 ALDH1A1 (0.49) ALDH1A1MEN1KMT2A
SCHEMBL6038071 0.86 ALDH1A1 (0.57) ALDH1A1MEN1KMT2A
SCHEMBL6037982 0.84 HDAC1 (0.50) TSHRALDH1A1MEN1KMT2ACA9
SCHEMBL5291493 0.84 POLB (0.49) ALDH1A1
SCHEMBL5280811 0.83 ALDH1A1 (0.48) ALDH1A1MEN1KMT2A
SCHEMBL5280023 0.81 FFAR1 (0.46) ALDH1A1MEN1KMT2A
SCHEMBL6038037 0.81 ALDH1A1 (0.55) TSHRALDH1A1KMT2AMCL1RAB9A
SCHEMBL6038148 0.80 ALDH1A1 (0.53) ALDH1A1MEN1KMT2A
SCHEMBL5339191 0.80 ALDH1A1 (0.44) ALDH1A1MEN1KMT2A
SCHEMBL5279126 0.79 FFAR1 (0.47) ALDH1A1MEN1KMT2A

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-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US claimed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 TSHR 2191/4885ALDH1A1 781/4885MEN1 2348/4885

“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.