Sugi Predict

Sugi Predict / Compounds / SCHEMBL9967716

SCHEMBL9967716

SCHEMBL9967716

CC(C)/C=C/c1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.50
▸ AHR P35869 1/20 0.48
▸ PTGS1 P23219 1/20 0.48
▸ FBP1 P09467 1/20 0.47
▸ NQO2 P16083 1/20 0.47
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ ADAM17 P78536 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ HDAC5 Q9UQL6 1/20 0.46
▸ NFE2L2 Q16236 1/20 0.45
▸ CYP1A1 P04798 4/20 0.44
▸ CYP1B1 Q16678 4/20 0.44
▸ MAOB P27338 1/20 0.44

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
SCHEMBL12650395 1.00 CYP1A2 (0.50) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL9059052 0.84 CYP1A2 (0.47) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL1595086 0.84 CYP1A2 (0.52) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL1595082 0.84 CYP1A2 (0.52) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL1744263 0.84 CYP1A2 (0.52) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL24434695 0.84 CYP1A2 (0.47) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL1595084 0.84 CYP1A2 (0.52) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL1744261 0.84 CYP1A2 (0.52) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL13988457 0.81 TRPV1 (0.61) PTGS1HDAC3HDAC11HDAC8HDAC6
SCHEMBL22931544 0.79 AHR (0.68) CYP1A2AHRPTGS1FBP1NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402950-A1 SUBSTITUTED BENZIMIDAZOLES AS PAD4 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2022-12-22 — — US disclosed
US-20220153732-A1 PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2022-05-19 — — US disclosed
US-9963448-B2 Bicyclic inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2018-05-08 — — US disclosed
US-9963448-B2 Bicyclic inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2018-05-08 — — US disclosed
US-20170166565-A1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. 2017-06-15 — — US disclosed
US-20170166565-A1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. 2017-06-15 — — US disclosed
US-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER IP GMBH (DE) 2015-06-25 — — US disclosed
US-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER IP GMBH (DE) 2015-06-25 — — US disclosed
US-9006265-B2 Substituted fused pyrimidinones and dihydropyrimidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 — — US disclosed
US-9006265-B2 Substituted fused pyrimidinones and dihydropyrimidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 — — US disclosed
US-20140171454-A1 Substituted Pyrrolo[2,3-d]pyrimidines as Inhibitors of Protein Kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-19 — — US disclosed
US-8633205-B2 Substituted pyrrolo[2,3-d]pyrimidines as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 — — US disclosed
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones BAYER CROPSCIENCE AG (DE) 2012-06-21 — — US disclosed
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones BAYER CROPSCIENCE AG (DE) 2012-06-21 — — US disclosed
US-20070004762-A9 Pyrrolopyrimidines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2007-01-04 — — US disclosed
US-20070004762-A9 Pyrrolopyrimidines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2007-01-04 — — US 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 (7 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-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES DHPS, FDPS, DPYD CYP1A2 862/4885AHR 1551/4885PTGS1 785/4885
US-20070004762-A9 Pyrrolopyrimidines useful as inhibitors of protein kinase PRKDC, MAP3K20, MAP3K5 CYP1A2 3753/4885AHR 4279/4885PTGS1 1364/4885
US-20220402950-A1 SUBSTITUTED BENZIMIDAZOLES AS PAD4 INHIBITORS PADI4, PADI1, PADI6 CYP1A2 1102/4885AHR 3363/4885PTGS1 1872/4885
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD CYP1A2 862/4885AHR 1551/4885PTGS1 785/4885
US-20220153732-A1 PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G CYP1A2 3277/4885AHR 4396/4885PTGS1 2571/4885
US-20140171454-A1 Substituted Pyrrolo[2,3-d]pyrimidines as Inhibitors of Protein Kinases PRKDC, DCK, CDK2 CYP1A2 3871/4885AHR 3850/4885PTGS1 1403/4885
US-20170166565-A1 BICYCLIC INHIBITORS OF PAD4 PADI4, PADI1, PADI2 CYP1A2 2558/4885AHR 3293/4885PTGS1 2379/4885

“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.