Sugi Predict

Sugi Predict / Compounds / SCHEMBL670453

SCHEMBL670453

SCHEMBL670453

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.58
▸ CA1 P00915 3/20 0.58
▸ CA2 P00918 3/20 0.58
▸ CA7 P43166 3/20 0.58
▸ CA9 Q16790 3/20 0.58
▸ CA14 Q9ULX7 3/20 0.58
▸ ESR1 P03372 2/20 0.48
▸ ESR2 Q92731 1/20 0.48
▸ CYP1A2 P05177 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ MAOA P21397 1/20 0.47
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ HSD17B2 P37059 1/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ NHERF1 O14745 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43

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
SCHEMBL2712707 0.90 CA12 (0.64) CA12CA1CA2CA7CA9
SCHEMBL10180584 0.90 CA12 (0.64) CA12CA1CA2CA7CA9
SCHEMBL4859473 0.88 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL265366 0.88 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL13307515 0.85 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL16098497 0.84 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL1928502 0.83 CYP2C19 (0.62) CA12CA1CA2CA7CA9
SCHEMBL2208614 0.83 CA12 (0.79) CA12CA1CA2CA7CA9
SCHEMBL839253 0.82 NOTUM (0.59) CA12CA1CA2CA7CA9
SCHEMBL670880 0.81 CA12 (0.55) 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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021155316-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2021-08-05 — — WO disclosed
EP-2842939-B1 BENZAMIDE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-05-30 — — EP disclosed
US-9849109-B2 Autotaxin inhibitors and uses thereof AMIRA PHARMACEUTICALS, INC. (US) 2017-12-26 — — US disclosed
EP-2606031-B1 AUTOTAXIN INHIBITORS AND USES THEREOF AMIRA PHARMACEUTICALS INC (US) 2017-09-27 — — EP disclosed
US-9695118-B2 Benzamide derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2017-07-04 — — US disclosed
CN-103201262-B Autotaxin inhibitors and application thereof AMIRA PHARMACEUTICALS, INC. (US) 2016-06-01 — — CN disclosed
US-20150336926-A1 FLUORINATION OF ARYL COMPOUNDS NIH 2015-11-26 — — US disclosed
US-20150164861-A1 AUTOTAXIN INHIBITORS AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2015-06-18 — — US disclosed
US-20150152047-A1 BENZAMIDE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-06-04 — — US disclosed
US-9000025-B2 Autotaxin inhibitors and uses thereof AMIRA PHARMACEUTICALS, INC. (US) 2015-04-07 — — US disclosed
EP-2606031-A2 AUTOTAXIN INHIBITORS AND USES THEREOF Amira Pharmaceuticals, Inc. (US) 2013-06-26 — — EP disclosed
US-20130150326-A1 AUTOTAXIN INHIBITORS AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2013-06-13 — — US disclosed
WO-2012024620-A2 AUTOTAXIN INHIBITORS AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2012-02-23 — — WO disclosed
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-12-09 — — US disclosed
EP-2226322-A1 IMIDAZOLE CARBONYL COMPOUND Daiichi Sankyo Company, Limited (JP) 2010-09-08 — — EP disclosed
US-7232821-B2 (2-((2-alkoxy)-phenyl) -cyclopent-1enyl) aromatic carbo and heterocyclic acid and derivatives GLAXO GROUP LIMITED (GB) 2007-06-19 — — US disclosed
US-20050239802-A1 (2-((2-alkoxy)-phenyl)-cyclopent-1enyl) aromatic carbo and heterocyclic acid and derivatives GLAXO GROUP LIMITED (GB) 2005-10-27 — — US disclosed
EP-1492757-A1 (2-((2-ALKOXY)-PHENYL)-CYCLOPENT-1-ENYL) AROMATIC CARBO- AND HETEROCYCLIC CARBOXYLIC ACID AND DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-01-05 — — EP disclosed
WO-2003084917-A1 (2-((2-ALKOXY) -PHENYL) -CYCLOPENT-1-ENYL) AROMATIC CARBO AND HETEROCYCLIC ACID AND DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-10-16 — — WO disclosed
US-5089499-A Anticarcinogenic agents; thymidylate synthetase inhibitors; antiallergens; psoriasis IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-18 — — 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 (6 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-20130150326-A1 AUTOTAXIN INHIBITORS AND USES THEREOF ENPP2, SERPINB1, SERPINE1 CA12 2082/4885CA1 2452/4885CA2 2476/4885
US-20150336926-A1 FLUORINATION OF ARYL COMPOUNDS AFF2, AFF1, AFF4 CA12 2246/4885CA1 908/4885CA2 2050/4885
US-20050239802-A1 (2-((2-alkoxy)-phenyl)-cyclopent-1enyl) aromatic carbo and heterocyclic acid and derivatives CYP2C9, CYP2C19, CNR1 CA12 2268/4885CA1 2395/4885CA2 1010/4885
US-20150152047-A1 BENZAMIDE DERIVATIVE CYP3A5, HDAC6, BRD1 CA12 1722/4885CA1 3416/4885CA2 912/4885
US-20150164861-A1 AUTOTAXIN INHIBITORS AND USES THEREOF ENPP2, SERPINB1, SERPINE1 CA12 2082/4885CA1 2452/4885CA2 2476/4885
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A CA12 4339/4885CA1 4359/4885CA2 2053/4885

“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.