SCHEMBL12765005

SCHEMBL12765005

Cc1ccc(C(C)(C)CNC(=O)C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
MAPT P10636 1/20 0.45
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
ACACB O00763 2/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL13654273 0.85 EPHX2 (0.44) NPC1RAB9AMAPTACACB
SCHEMBL8350859 0.82 ACACB (0.54) NPC1RAB9AMAPTLMNAPOLB
SCHEMBL8352141 0.79 NPC1 (0.45) NPC1RAB9AMAPTLMNAPOLB
SCHEMBL8351470 0.79 NPC1 (0.45) NPC1RAB9AMAPTLMNAPOLB
SCHEMBL8351164 0.78 NPC1 (0.44) NPC1RAB9AMAPTLMNAPOLB
SCHEMBL3112777 0.74 CYP2C19 (0.47) MAPTKMT2A
SCHEMBL16041339 0.74 OGG1 (0.40) NPC1RAB9AACACBMEN1KMT2A
SCHEMBL398885 0.74 EPHX2 (0.46) NPC1RAB9AMAPTACACB
SCHEMBL17240886 0.74 CACNA1G (0.51) NPC1RAB9AMAPTLMNASMN1; SMN2
SCHEMBL8350856 0.73 TSHR (0.50) NPC1RAB9AMAPTLMNAPOLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921358-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-30 US disclosed
US-20130203731-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2013-08-08 US disclosed
US-8461163-B2 Substituted N-(pyrazolo[1,5-a]pyrimidin-5-yl)amides as inhibitors of apoptosis signal-regulating kinase 1 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-20110077235-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-31 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 (2 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-20130203731-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD NPC1 2057/4885RAB9A 3465/4885MAPT 1024/4885
US-20110077235-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD NPC1 1900/4885RAB9A 3479/4885MAPT 1079/4885

“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.