SCHEMBL4216992

SCHEMBL4216992

COc1ccc(-c2ccc(C(=O)O)c(Nc3ccc(F)cc3)c2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 12/20 0.54
AKR1C2 P52895 12/20 0.54
KDM4E B2RXH2 2/20 0.54
APAF1 O14727 1/20 0.54
RECQL P46063 1/20 0.54
CASP6 P55212 1/20 0.54
CACNA1B Q00975 1/20 0.54
APBA1 Q02410 1/20 0.54
MCL1 Q07820 1/20 0.54
CASP8 Q14790 1/20 0.54
ACLY P53396 1/20 0.54
CTSV O60911 2/20 0.48
CTSL P07711 2/20 0.48
IDO1 P14902 1/20 0.47
XDH P47989 1/20 0.46
SLC22A12 Q96S37 1/20 0.46
DHODH Q02127 1/20 0.46

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
SCHEMBL4215552 0.89 AKR1C3 (0.53) AKR1C3AKR1C2KDM4EAPAF1RECQL
SCHEMBL4225674 0.86 AKR1C3 (0.71) AKR1C3AKR1C2XDHSLC22A12
SCHEMBL4221155 0.85 AKR1C3 (0.54) AKR1C3AKR1C2KDM4EAPAF1RECQL
SCHEMBL4226484 0.85 XDH (0.54) AKR1C3AKR1C2ACLYXDHSLC22A12
SCHEMBL4210556 0.85 AKR1C3 (0.57) AKR1C3AKR1C2ACLY
SCHEMBL13890951 0.84 NFE2L2 (0.57) AKR1C3AKR1C2KDM4ECTSVCTSL
SCHEMBL4222459 0.84 AKR1C3 (0.51) AKR1C3AKR1C2RECQLCTSVCTSL
SCHEMBL4216592 0.83 AKR1C3 (0.65) AKR1C3AKR1C2DHODH
SCHEMBL4223054 0.82 AKR1C3 (0.59) AKR1C3AKR1C2KDM4EMCL1ACLY
SCHEMBL4215664 0.81 ACLY (0.52) AKR1C3AKR1C2ACLYXDHSLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324396-B2 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor AMGEN INC. (US) 2012-12-04 US claimed
US-20090054463-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor AMGEN INC. 2009-02-26 US claimed
US-8327467-B2 Anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-8324396-B2 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor AMGEN INC. (US) 2012-12-04 US disclosed
EP-1860098-B1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2012-11-14 EP disclosed
US-20090105474-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-04-23 US disclosed
US-20090054463-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor AMGEN INC. 2009-02-26 US disclosed
EP-1860098-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2007-11-28 EP 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 (2 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-20090054463-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor UTS2R, CASR, GPR17 AKR1C3 1089/4885AKR1C2 666/4885KDM4E 3540/4885
US-20090105474-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF MMP13, MMP11, MMP3 AKR1C3 105/4885AKR1C2 287/4885KDM4E 2222/4885

“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.