SCHEMBL2210016

SCHEMBL2210016

CCNC(=O)Nc1sc2ccccc2c1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 2/20 0.63
ABCG2 Q9UNQ0 1/20 0.63
ACACB O00763 16/20 0.55
ACACA Q13085 16/20 0.55
ACLY P53396 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL14222025 0.84 ACACB (0.59) ACACBACACA
SCHEMBL10169907 0.83 NPC1 (0.51) ABCC1ABCG2ACACBACACANPC1
SCHEMBL8329259 0.81 ABCC1 (0.63) ABCC1ABCG2ACLY
SCHEMBL3498296 0.80 ABCC1 (0.77) ABCC1ABCG2ACACBACLYNPC1
SCHEMBL4397587 0.79 ACACB (0.55) ACACBACACA
SCHEMBL4397599 0.79 ACACB (0.55) ACACBACACA
SCHEMBL2210050 0.79 ACACB (0.67) ACACBACACA
SCHEMBL4258404 0.78 ACACB (0.59) ACACBACACA
SCHEMBL14042026 0.78 ACACB (0.74) ACACBACACA
SCHEMBL4261302 0.77 ACACB (0.64) ACACBACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981904-B2 Acetyl CoA carboxylase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-19 US disclosed
US-7981904-B2 Acetyl CoA carboxylase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-19 US disclosed
US-7981904-B2 Acetyl CoA carboxylase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-19 US disclosed
US-20090253725-A1 ACETYL CoA CARBOXYLASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
US-20090253725-A1 ACETYL CoA CARBOXYLASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
US-20090253725-A1 ACETYL CoA CARBOXYLASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
EP-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 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-20090253725-A1 ACETYL CoA CARBOXYLASE INHIBITORS ACACA, ACACB, ACAT1 ABCC1 1490/4885ABCG2 2813/4885ACACB 2/4885

“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.