SCHEMBL5428131

SCHEMBL5428131

COc1ccc(Oc2ncc(C=O)s2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 6/20 0.45
CYP2C19 P33261 6/20 0.45
ACACB O00763 5/20 0.45
MAPT P10636 4/20 0.44
LMNA P02545 2/20 0.44
ACACA Q13085 2/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP2A6 P11509 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP2D6 P10635 1/20 0.42
CYP1A2 P05177 3/20 0.41
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL4808750 0.85 ACACB (0.49) CYP2C9CYP2C19ACACBMAPTLMNA
SCHEMBL9387435 0.84 SMN1; SMN2 (0.41) CYP2C9CYP2C19ACACBACACACYP1A2
SCHEMBL21274361 0.84 L3MBTL1 (0.49) CYP2C9CYP2C19ACACBLMNAACACA
SCHEMBL11058695 0.83 MLYCD (0.48) CYP2C9CYP2C19ACACBMAPTLMNA
SCHEMBL5423741 0.83 ACACB (0.61) CYP2C9CYP2C19ACACBACACA
SCHEMBL4892445 0.81
SCHEMBL5430067 0.81 ACACB (0.46) CYP2C9CYP2C19ACACBACACAALDH1A1
SCHEMBL5418512 0.80 LMNA (0.46) CYP2C9CYP2C19ACACBMAPTLMNA
SCHEMBL5418518 0.80 LMNA (0.46) CYP2C9CYP2C19ACACBMAPTLMNA
SCHEMBL31356843 0.80 MLYCD (0.40) CYP2C9CYP2C19ACACBACACAHDAC3

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-8748627-B2 Acetyl-CoA carboxylase (ACC) inhibitors and their use in diabetes, obesity and metabolic syndrome ABBVIE INC. (US) 2014-06-10 US disclosed
CN-103554095-A Novel acetyl-coa carboxylase (acc) inhibitors and their use in diabetes, obesity and metabolic syndrome ABBVIE INC 2014-02-05 CN disclosed
US-20070225332-A1 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBVIE INC. 2007-09-27 US disclosed
EP-1399156-B1 ALKYLIDENE PIRAZOLIDINEDIONE DERIVATIVES AND THEIR USE FOR TREATING DIABETES AND OBESITY APPLIED RESEARCH SYSTEMS (AN) 2006-11-22 EP disclosed
US-20040220188-A1 Alkylidene pyrazolidinedione derivatives LABORATOIRES SERONO SA (CH) 2004-11-04 US disclosed
EP-1399156-A2 ALKYLIDENE PIRAZOLIDINEDIONE DERIVATIVES AND THEIR USE FOR TREATING DIABETES AND OBESITY Applied Research Systems ARS Holding N.V. (AN) 2004-03-24 EP disclosed
WO-2002102359-A2 ALKYLIDENE PYRAZOLIDINEDIONE DERIVATIVES AND USE FOR TREATING DIABETES AND OBESITY APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2002-12-27 WO 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-20040220188-A1 Alkylidene pyrazolidinedione derivatives G6PC1, PPM1D, PTPRS CYP2C9 1920/4885CYP2C19 929/4885ACACB 1172/4885
US-20070225332-A1 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ACACA, ACACB, ACAT1 CYP2C9 779/4885CYP2C19 774/4885ACACB 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.