SCHEMBL3439600

SCHEMBL3439600

CC(C)(C)c1ccc(NS(=O)(=O)N2CCOCC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.66
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
FKBP1A P62942 3/20 0.49
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
GLA P06280 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL15139607 0.83 POLB (0.71) POLBMAPTFKBP1AALDH1A1GLA
SCHEMBL3973348 0.80 POLB (0.71) POLBFKBP1AALDH1A1GLAKMT2A
SCHEMBL3369957 0.80 POLB (0.67) POLBFKBP1AALDH1A1GLAKMT2A
SCHEMBL6613032 0.80 POLB (0.71) POLBMAPTFKBP1AALDH1A1GLA
SCHEMBL1853129 0.79 POLB (0.71) POLBLMNAFKBP1AALDH1A1GLA
SCHEMBL10048553 0.79 POLB (0.66) POLBLMNAMAPTFKBP1AALDH1A1
SCHEMBL12169381 0.76 LMNA (0.71) POLBLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL8724983 0.76 POLB (0.70) POLBFKBP1AALDH1A1GLAKMT2A
SCHEMBL27830860 0.76 POLB (0.66) POLBMAPTALDH1A1KMT2AHSD17B10
SCHEMBL3976377 0.74 CA1 (0.59) POLBFKBP1AALDH1A1GLAKMT2A

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-8497371-B2 Pipemidic acid derivative autotaxin inhibitors UNIVERSITY OF MEMPHIS RESEARCH FOUNDATION (US) 2013-07-30 US disclosed
US-20120100592-A1 PIPEMIDIC ACID DERIVATIVE AUTOTAXIN INHIBITORS THE UNIVERSITY OF MEMPHIS 2012-04-26 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-20120100592-A1 PIPEMIDIC ACID DERIVATIVE AUTOTAXIN INHIBITORS ENPP2, PLA2G6, PLA2G10 POLB 2710/4885LMNA 1624/4885MAPT 2803/4885

“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.