Sugi Predict

Sugi Predict / Compounds / SCHEMBL4463232

SCHEMBL4463232

SCHEMBL4463232

COC(=O)c1ccc(OC)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.46
▸ KMT2A Q03164 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ PDK2 Q15119 1/20 0.43
▸ PDK4 Q16654 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ GAA P10253 5/20 0.42
▸ MAPT P10636 4/20 0.42
▸ TSHR P16473 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ MYC P01106 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ PLK1 P53350 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41

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
SCHEMBL522062 0.88 CA12 (0.52) KDM4ECA12CA1CA2CA7
SCHEMBL27433079 0.85 MYC (0.44) KDM4EKMT2ACA12CA1CA2
SCHEMBL1560968 0.85 KDM4E (0.47) KDM4EKMT2ACA12CA1CA2
SCHEMBL19953471 0.84 GAA (0.45) KDM4EKMT2APDK2PDK4GAA
SCHEMBL15921043 0.84 CA12 (0.40) KDM4ECA12CA1CA2CA7
SCHEMBL23834841 0.84 KDM4E (0.42) KDM4EKMT2ACA12CA1CA2
SCHEMBL2254189 0.83 KAT6A (0.54) KDM4ECA12CA1CA2CA7
SCHEMBL1961466 0.82 MAPT (0.55) KDM4ECA12CA1CA2CA7
SCHEMBL12845087 0.82 ALDH1A1 (0.50) KDM4EKMT2ACA9GAAMAPT
SCHEMBL14747755 0.82 KDM4E (0.41) KDM4EKMT2ACA12CA1CA2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3031799-B1 AROMATIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-04-04 — — EP disclosed
US-9776962-B2 Aromatic compounds with GPR40 agonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 — — US disclosed
EP-3031799-A1 AROMATIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-15 — — EP disclosed
US-20160115128-A1 AROMATIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-28 — — US disclosed
CN-103539671-B Method for preparing roflumilast intermediate BEIJING WINSUNNY PHARMACEUTICAL CO LTD 2015-01-07 — — CN disclosed
CN-103539671-A Method for preparing roflumilast intermediate BEIJING WINSUNNY PHARMACEUTICAL CO LTD 2014-01-29 — — CN disclosed
US-7531564-B2 Substituted benzoxazoles as estrogenic agents WYETH (US) 2009-05-12 — — US disclosed
EP-1982713-A2 Substituted benzoxazoles and analogues as estrogenic agents Wyeth (US) 2008-10-22 — — EP disclosed
US-20080255057-A1 PRODRUG SUBSTITUTED BENZOXAZOLES AS ESTROGENIC AGENTS WYETH (US) 2008-10-16 — — US disclosed
US-20070167503-A1 Substituted benzoxazoles as estrogenic agents WYETH (US) 2007-07-19 — — US disclosed
US-7129258-B2 Substituted benzoxazoles as estrogenic agents WYETH (US) 2006-10-31 — — US disclosed
WO-2006026316-A2 PRODRUG SUBSTITUTED BENZOXAZOLES AS ESTROGENIC AGENTS WYETH (US) 2006-03-09 — — WO disclosed
US-20060046968-A1 Prodrug substituted benzoxazoles as estrogenic agents WYETH (US) 2006-03-02 — — US disclosed
US-20050239851-A1 Substituted benzoxazoles as estrogenic agents WYETH (US) 2005-10-27 — — US disclosed
US-20050080117-A1 Substituted benzoxazoles as estrogenic agents WYETH (US) 2005-04-14 — — US disclosed
US-6794403-B2 FOR TREATING OR INHIBITING INFLAMMATORY BOWEL DISEASE, CROHN'S DISEASE, ULCERATIVE PROCTITIS OR COLITIS PROSTATIC HYPERTROPHY, UTERINE LEIOMYOMAS, BREAST CANCER, ENDOMETRIAL CANCER, CARDIOVASCULAR DISEASE, ALZHEIMER'S DISEASE WYETH 2004-09-21 — — US disclosed
EP-1451165-A1 SUBSTITUTED BENZOXAZOLES AND ANALOGUES AS ESTROGENIC AGENTS Wyeth (US) 2004-09-01 — — EP disclosed
US-20030199562-A1 Substituted benzoxazoles as estrogenic agents WYETH 2003-10-23 — — US disclosed
WO-2003050095-A1 SUBSTITUTED BENZOXAZOLES AND ANALOGUES AS ESTROGENIC AGENTS WYETH (US) 2003-06-19 — — WO disclosed
CN-1109050-A Catecholamine surrogates useful as beta3 agonists BRISTOL MYERS SQUIBB CO (US) 1995-09-27 — — CN 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-20080255057-A1 PRODRUG SUBSTITUTED BENZOXAZOLES AS ESTROGENIC AGENTS ESR1, CYP19A1, ESR2 KDM4E 730/4885KMT2A 454/4885CA12 2093/4885
US-20050239851-A1 Substituted benzoxazoles as estrogenic agents ESR1, ESR2, ESRRA KDM4E 633/4885KMT2A 421/4885CA12 3003/4885
US-20160115128-A1 AROMATIC COMPOUND GLP1R, GPR119, GPR39 KDM4E 662/4885KMT2A 1359/4885CA12 4622/4885
US-20050080117-A1 Substituted benzoxazoles as estrogenic agents ESR1, ESR2, ESRRA KDM4E 633/4885KMT2A 421/4885CA12 3003/4885
US-20030199562-A1 Substituted benzoxazoles as estrogenic agents ESR1, ESR2, ESRRA KDM4E 679/4885KMT2A 907/4885CA12 2935/4885
US-20070167503-A1 Substituted benzoxazoles as estrogenic agents ESR1, ESR2, ESRRA KDM4E 633/4885KMT2A 421/4885CA12 3003/4885
US-20060046968-A1 Prodrug substituted benzoxazoles as estrogenic agents ESR1, CYP19A1, ESR2 KDM4E 730/4885KMT2A 454/4885CA12 2093/4885

“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.