SCHEMBL1901447

SCHEMBL1901447

NC(=O)C(O)Cc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.52
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A3 Q01959 1/20 0.48
PPARG P37231 5/20 0.46
PPARA Q07869 5/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TAAR1 Q96RJ0 2/20 0.42
EPHX1 P07099 1/20 0.42
IDO1 P14902 2/20 0.41
ACACB O00763 1/20 0.41
CYP1A2 P05177 1/20 0.40

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
SCHEMBL16825731 0.82 KDM6B (0.56) SLC6A4SLC6A2SLC6A3PPARGPPARA
SCHEMBL6077436 0.82 SLC6A4 (0.54) SLC6A4CYP2C9CYP2C19SLC6A2SLC6A3
SCHEMBL2459377 0.82 KDM6B (0.56) SLC6A4SLC6A2SLC6A3PPARGPPARA
SCHEMBL3351644 0.82 KDM6B (0.56) SLC6A4SLC6A2SLC6A3PPARGPPARA
SCHEMBL11294242 0.81 DPP4 (0.47) CYP2C9CYP2C19PPARGPPARAMEN1
SCHEMBL11298234 0.81 SLC6A4 (0.48) SLC6A4CYP2C9CYP2C19SLC6A2SLC6A3
SCHEMBL9658999 0.80 SLC6A4 (0.47) SLC6A4CYP2C9CYP2C19SLC6A2SLC6A3
SCHEMBL8122168 0.80 SLC6A4 (0.57) SLC6A4CYP2C9CYP2C19SLC6A2SLC6A3
SCHEMBL19369765 0.80 SLC6A2 (0.48) SLC6A4SLC6A2SLC6A3PPARGPPARA
SCHEMBL5096121 0.80 SLC6A4 (0.57) SLC6A4CYP2C9CYP2C19SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-12-18 US disclosed
US-8759334-B2 Compounds useful for the treatment of metabolic and inflammatory diseases GALAPAGOS NV (BE) 2014-06-24 US disclosed
EP-2665704-A1 AZETIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES Galapagos NV (BE) 2013-11-27 EP disclosed
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-11-14 US disclosed
WO-2012098033-A1 AZETIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2012-07-26 WO disclosed
WO-2011051671-A1 AMINOPYRIDINE DERIVATIVES AS KALLIKREIN INHIBITORS VANTIA LIMITED (GB) 2011-05-05 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-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GOT2, GPR119, PC SLC6A4 4503/4885CYP2C9 2924/4885CYP2C19 1735/4885
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GOT2, GPR119, PC SLC6A4 4503/4885CYP2C9 2924/4885CYP2C19 1735/4885

“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.