SCHEMBL4573199

SCHEMBL4573199

COc1cc(Br)ccc1S(C)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
TSHR P16473 2/20 0.49
GLA P06280 1/20 0.49
GAA P10253 2/20 0.47
WDR5 P61964 2/20 0.46
TRPV4 Q9HBA0 1/20 0.44
HTT P42858 2/20 0.42
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ACLY P53396 1/20 0.42
BRD4 O60885 1/20 0.41
BRD1 O95696 1/20 0.41
BRPF1 P55201 1/20 0.41
BRPF3 Q9ULD4 1/20 0.41
ALPL P05186 1/20 0.40
EDNRB P24530 2/20 0.40
EDNRA P25101 2/20 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
SCHEMBL31050364 0.85 SMN1; SMN2 (0.46) SMN1; SMN2TSHRGLAGAATRPV4
SCHEMBL30514814 0.85 SMN1; SMN2 (0.65) SMN1; SMN2TSHRGLAGAAWDR5
SCHEMBL1790129 0.85 SMN1; SMN2 (0.65) SMN1; SMN2TSHRGLAGAAWDR5
SCHEMBL17315165 0.83 SMN1; SMN2 (0.47) SMN1; SMN2TSHRGLAGAAWDR5
SCHEMBL16005133 0.83 PKM (0.53) SMN1; SMN2TSHRGLAGAAWDR5
SCHEMBL31556387 0.83 PKM (0.53) SMN1; SMN2TSHRGLAGAAWDR5
SCHEMBL4018384 0.83 TRPV4 (0.66) SMN1; SMN2TSHRGLAGAAWDR5
SCHEMBL2653076 0.79 ALPL (0.52) WDR5ALPL
SCHEMBL2719702 0.78 CA12 (0.54) SMN1; SMN2GAATRPV4ALDH1A1ALPL
SCHEMBL12888826 0.78 MCOLN3 (0.57) SMN1; SMN2TSHRGAATRPV4HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3668856-B1 NOVEL TETRAZOLE COMPOUNDS AND THEIR USE IN THE TREATMENT OF TUBERCULOSIS GLAXOSMITHKLINE IP DEV LTD (GB) 2021-06-23 EP disclosed
US-20190210970-A1 PHENYL QUINOLINONE DERIVATIVES AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS, INC. 2019-07-11 US disclosed
US-10266495-B2 Phenyl quinolinone derivatives as mutant-isocitrate dehydrogenase inhibitors FORMA TM2, INC. (US) 2019-04-23 US disclosed
EP-3194375-B1 PHENYL QUINOLINONE DERIVATIVES AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS INC (US) 2018-11-21 EP disclosed
US-20180327361-A1 PHENYL QUINOLINONE DERIVATIVES AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS, INC. 2018-11-15 US disclosed
US-10005734-B2 Pyridin-2(1H)-one quinolinone derivatives as mutant-isocitrate dehydrogenase inhibitors FORMA THERAPEUTICS, INC. (US) 2018-06-26 US disclosed
US-10005734-B2 Pyridin-2(1H)-one quinolinone derivatives as mutant-isocitrate dehydrogenase inhibitors FORMA THERAPEUTICS, INC. (US) 2018-06-26 US disclosed
EP-3194375-A1 PHENYL QUINOLINONE DERIVATIVES AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS Forma Therapeutics, Inc. (US) 2017-07-26 EP disclosed
US-20160083349-A1 PYRIDIN-2(1H)-ONE QUINOLINONE DERIVATIVES AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS, INC. 2016-03-24 US disclosed
WO-2016044782-A1 PHENYL QUINOLINONE DERIVATIVES AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2016-03-24 WO disclosed
WO-2016044782-A1 PHENYL QUINOLINONE DERIVATIVES AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2016-03-24 WO disclosed
US-20160083349-A1 PYRIDIN-2(1H)-ONE QUINOLINONE DERIVATIVES AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS, INC. 2016-03-24 US disclosed
US-20160083349-A1 PYRIDIN-2(1H)-ONE QUINOLINONE DERIVATIVES AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS, INC. 2016-03-24 US disclosed
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 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 (5 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-10005734-B2 Pyridin-2(1H)-one quinolinone derivatives as mutant-isocitrate dehydrogenase inhibitors IDH3A, IDH1, IDH2 SMN1; SMN2 1626/4885TSHR 2095/4885GLA 2489/4885
US-10266495-B2 Phenyl quinolinone derivatives as mutant-isocitrate dehydrogenase inhibitors IDH3A, IDH1, IDH3B SMN1; SMN2 2358/4885TSHR 3264/4885GLA 2938/4885
US-20190210970-A1 PHENYL QUINOLINONE DERIVATIVES AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS IDH1, IDH2, IDH3A SMN1; SMN2 3908/4885TSHR 4777/4885GLA 1222/4885
US-20160083349-A1 PYRIDIN-2(1H)-ONE QUINOLINONE DERIVATIVES AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS IDH3A, IDH1, IDH2 SMN1; SMN2 1626/4885TSHR 2095/4885GLA 2489/4885
US-20180327361-A1 PHENYL QUINOLINONE DERIVATIVES AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS IDH3A, IDH1, IDH3B SMN1; SMN2 2358/4885TSHR 3264/4885GLA 2938/4885

“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.