SCHEMBL12475820

SCHEMBL12475820

COc1ccc(Oc2ncc(Br)s2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 10/20 0.44
DYRK1A Q13627 1/20 0.44
SLC6A4 P31645 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HPGD P15428 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ACACA Q13085 1/20 0.38
SCN9A Q15858 1/20 0.37
S1PR4 O95977 1/20 0.37
HTR2A P28223 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36

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
SCHEMBL12475966 0.86 ACACB (0.45) ACACBCYP2C9CYP2C19ACACA
SCHEMBL12475997 0.85 ACACB (0.57) ACACBCYP2C9CYP2C19ACACA
SCHEMBL12476062 0.84 ACACB (0.55) ACACBCYP2C9CYP2C19ACACA
SCHEMBL12476150 0.83 TRPA1 (0.42) ACACBACACA
SCHEMBL12476141 0.80 ACACB (0.47) ACACBACACA
SCHEMBL5430067 0.80 ACACB (0.46) ACACBDYRK1ASLC6A4SLC6A2SLC6A3
SCHEMBL17050437 0.80 ACACB (0.36) ACACBSLC6A2SLC6A3HPGDCYP2C9
SCHEMBL12476320 0.80 ACACB (0.56) ACACBCYP2C9CYP2C19ACACA
SCHEMBL12475401 0.80 ACACB (0.55) ACACBHPGDCYP2C9CYP2C19ACACA
SCHEMBL5942855 0.80 RAB9A (0.47) ACACBCYP2C9

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
EP-3670496-A2 ACC2 INHIBITORS Shionogi&Co., Ltd. (JP) 2020-06-24 EP disclosed
US-20160257641-A1 NOVEL ALKYLENE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2016-09-08 US disclosed
US-20160257641-A1 NOVEL ALKYLENE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2016-09-08 US disclosed
EP-3059225-A1 NOVEL ALKYLENE DERIVATIVE Shionogi & Co., Ltd. (JP) 2016-08-24 EP disclosed
US-20150246938-A1 NOVEL OLEFIN DERIVATIVE SHIONOGI & CO., LTD. (JP) 2015-09-03 US disclosed
US-20150246938-A1 NOVEL OLEFIN DERIVATIVE SHIONOGI & CO., LTD. (JP) 2015-09-03 US disclosed
WO-2012090219-A2 THIAZOLE COMPOUNDS USEFUL AS ACETYL-COA CARBOXYLASE (ACC) INHIBITORS JUBILANT BIOSYS LTD. (IN) 2012-07-05 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-20150246938-A1 NOVEL OLEFIN DERIVATIVE ACSS2, ACACB, ACAT2 ACACB 2/4885DYRK1A 4787/4885SLC6A4 3519/4885
US-20160257641-A1 NOVEL ALKYLENE DERIVATIVES ACSS2, ACACB, ADCY2 ACACB 2/4885DYRK1A 4529/4885SLC6A4 3758/4885

“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.