SCHEMBL4758271

SCHEMBL4758271

CCOC(=O)c1cc(Cl)cc(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.55
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
CA7 P43166 3/20 0.55
CA9 Q16790 3/20 0.55
CA14 Q9ULX7 3/20 0.55
GPR35 Q9HC97 1/20 0.47
ESR1 P03372 3/20 0.46
ESR2 Q92731 1/20 0.46
MAOB P27338 1/20 0.46
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAOA P21397 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL7589274 0.89 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL2662880 0.89 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL2712707 0.87 CA12 (0.64) CA12CA1CA2CA7CA9
SCHEMBL10180584 0.87 CA12 (0.64) CA12CA1CA2CA7CA9
SCHEMBL15615318 0.84 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL2707377 0.82 CYP2C9 (0.60) CA12CA1CA2CA7CA9
SCHEMBL670453 0.81 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL2416449 0.81 NOTUM (0.57) CA12CA1CA2CA7CA9
SCHEMBL16528649 0.81 CYP4F2 (0.54) CA12CA1CA2CA7CA9
SCHEMBL583546 0.81 NPC1 (0.59) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3004097-B1 KINASE INHIBITORS CHIESI FARM SPA (IT) 2018-01-17 EP disclosed
US-9440974-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-09-13 US disclosed
EP-3004097-A1 KINASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2016-04-13 EP disclosed
US-20160016953-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A (IT) 2016-01-21 US disclosed
CN-105085226-A Preparing method of 3,5-halogeno benzene carboxylic acid YANTAI GEM CHEMICALS CO LTD 2015-11-25 CN disclosed
US-9181242-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2015-11-10 US disclosed
US-20140364412-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2014-12-11 US disclosed
WO-2014195402-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2014-12-11 WO disclosed
WO-2009000819-A1 5-PHENYL-1,3,4-OXADIAZOL-2-YL-ACETYL-4-PIPERIDINYL DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-12-31 WO disclosed
WO-2009000819-A1 5-PHENYL-1,3,4-OXADIAZOL-2-YL-ACETYL-4-PIPERIDINYL DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-12-31 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-20160016953-A1 KINASE INHIBITORS MAP3K1, MAP3K2, MAP3K6 CA12 3912/4885CA1 4439/4885CA2 3012/4885
US-20140364412-A1 KINASE INHIBITORS MAP3K1, MAP3K2, MAP3K6 CA12 3912/4885CA1 4439/4885CA2 3012/4885

“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.