SCHEMBL4474342

SCHEMBL4474342

COc1ccc(-c2nc3cc(OC)cc(Br)c3o2)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 12/20 0.57
ESR1 P03372 9/20 0.57
GPR119 Q8TDV5 1/20 0.43
AMY1A P0DUB6 3/20 0.41
CTSG P08311 1/20 0.41
KLK7 P49862 1/20 0.41
CTRC Q99895 1/20 0.41
KLK14 Q9P0G3 1/20 0.41
KLK5 Q9Y337 1/20 0.41
GPR35 Q9HC97 1/20 0.41
HDAC6 Q9UBN7 1/20 0.38
GRM2 Q14416 1/20 0.38
HPSE Q9Y251 1/20 0.38

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
SCHEMBL4487172 0.82 ESR2 (0.46) ESR2ESR1CTSGKLK7CTRC
SCHEMBL4464248 0.79 HDAC6 (0.56) ESR2ESR1HDAC6
SCHEMBL4463663 0.77 ESR1 (0.54) ESR2ESR1GPR119HDAC6
SCHEMBL17554127 0.76 CTSG (0.62) GPR119AMY1ACTSGKLK7CTRC
SCHEMBL5417126 0.75 ESR1 (0.51) ESR2ESR1HDAC6
SCHEMBL1377426 0.73 ESR2 (1.00) ESR2ESR1HDAC6
SCHEMBL6518045 0.73 ESR1 (0.52) ESR2ESR1HDAC6
SCHEMBL4473598 0.72 ESR1 (0.45) ESR2ESR1CTSGKLK7CTRC
SCHEMBL17554168 0.72 C1R (0.65) CTSGKLK7CTRCKLK14KLK5
SCHEMBL17554059 0.71 ELANE (0.54) GPR119CTSGKLK7CTRCKLK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7148247-B2 Substituted benzoxazoles as estrogenic agents WYETH (US) 2006-12-12 US disclosed
US-7129258-B2 Substituted benzoxazoles as estrogenic agents WYETH (US) 2006-10-31 US 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

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-20080255057-A1 PRODRUG SUBSTITUTED BENZOXAZOLES AS ESTROGENIC AGENTS ESR1, CYP19A1, ESR2 ESR2 3/4885ESR1 1/4885GPR119 83/4885
US-20050239851-A1 Substituted benzoxazoles as estrogenic agents ESR1, ESR2, ESRRA ESR2 2/4885ESR1 1/4885GPR119 60/4885
US-20050080117-A1 Substituted benzoxazoles as estrogenic agents ESR1, ESR2, ESRRA ESR2 2/4885ESR1 1/4885GPR119 60/4885
US-20030199562-A1 Substituted benzoxazoles as estrogenic agents ESR1, ESR2, ESRRA ESR2 2/4885ESR1 1/4885GPR119 95/4885
US-20070167503-A1 Substituted benzoxazoles as estrogenic agents ESR1, ESR2, ESRRA ESR2 2/4885ESR1 1/4885GPR119 60/4885
US-20060046968-A1 Prodrug substituted benzoxazoles as estrogenic agents ESR1, CYP19A1, ESR2 ESR2 3/4885ESR1 1/4885GPR119 83/4885

“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.