SCHEMBL5496500

SCHEMBL5496500

COC(OC)c1ccc(Br)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 4/20 0.54
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DGAT1 O75907 1/20 0.36
KDM1A O60341 2/20 0.34
KDM1B Q8NB78 1/20 0.34
SLC6A4 P31645 2/20 0.33
EGFR P00533 1/20 0.33
RET P07949 1/20 0.33
KIF5B P33176 1/20 0.33
KDR P35968 1/20 0.33
PYCR1 P32322 1/20 0.33
OPRM1 P35372 1/20 0.32
ACHE P22303 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32

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
SCHEMBL15130833 0.82 APLNR (0.56) APLNRALDH1A1L3MBTL1DGAT1KDM1A
SCHEMBL1249242 0.81 APLNR (0.44) APLNRALDH1A1L3MBTL1DGAT1KDM1A
SCHEMBL8807188 0.79 IDO1 (0.43) APLNRALDH1A1SLC6A4NPC1RAB9A
SCHEMBL31035431 0.79 MAPK1 (0.41) APLNRALDH1A1L3MBTL1NPC1LMNA
SCHEMBL2550576 0.77 APLNR (0.50) APLNRDGAT1KDM1AKDM1BPYCR1
SCHEMBL30169618 0.77 APLNR (0.50) APLNRDGAT1KDM1AKDM1BPYCR1
SCHEMBL9515508 0.77 APLNR (0.48) APLNRALDH1A1L3MBTL1DGAT1NPC1
SCHEMBL1321414 0.76 KDM4E (0.39) APLNRPYCR1NPC1
SCHEMBL28056382 0.76 CYP1A2 (0.42)
SCHEMBL5041250 0.75 ALDH1A1 (0.53) APLNRALDH1A1L3MBTL1DGAT1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970116-A1 ARYL SULFAMIDE AND SULFAMATE DERIVATIVES AS RORc MODULATORS F. Hoffmann-La Roche AG (CH) 2016-01-20 EP disclosed
US-9216988-B2 Benzyl sulfonamide derivatives as RORc modulators GENENTECH, INC. (US) 2015-12-22 US disclosed
US-9216988-B2 Benzyl sulfonamide derivatives as RORc modulators GENENTECH, INC. (US) 2015-12-22 US disclosed
US-8912219-B2 Aryl sulfamide and sulfamate derivatives as RORc modulators GENENTECH, INC. (US) 2014-12-16 US disclosed
US-8912219-B2 Aryl sulfamide and sulfamate derivatives as RORc modulators GENENTECH, INC. (US) 2014-12-16 US disclosed
EP-2794584-A1 BENZYL SULFONAMIDE DERIVATIVES AS RORc MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2014-10-29 EP disclosed
WO-2014140059-A1 ARYL SULFAMIDE AND SULFAMATE DERIVATIVES AS RORc MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-18 WO disclosed
WO-2014140059-A1 ARYL SULFAMIDE AND SULFAMATE DERIVATIVES AS RORc MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-18 WO disclosed
US-20140275032-A1 ARYL SULFAMIDE AND SULFAMATE DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2014-09-18 US disclosed
US-20140275032-A1 ARYL SULFAMIDE AND SULFAMATE DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2014-09-18 US disclosed
US-20130190288-A1 BENZYL SULFONAMIDE DERIVATIVES AS RORC MODULATORS GENENTECH, INC. (US) 2013-07-25 US disclosed
WO-2013092941-A1 BENZYL SULFONAMIDE DERIVATIVES AS RORc MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-06-27 WO disclosed
WO-2013092941-A1 BENZYL SULFONAMIDE DERIVATIVES AS RORc MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-06-27 WO disclosed
EP-1791807-A1 THERAPEUTIC DIPHENYL ETHER LIGANDS Pfizer Products Incorporated (US) 2007-06-06 EP disclosed
WO-2006027684-A1 THERAPEUTIC DIPHENYL ETHER LIGANDS PFIZER PRODUCTS INC. (US) 2006-03-16 WO disclosed
US-20060058361-A1 Therapeutic diphenyl ether ligands PFIZER INC 2006-03-16 US disclosed
US-6452014-B1 THIAZOLIDINEDIONE COMPOUNDS GERON CORPORATION 2002-09-17 US disclosed
US-20020120144-A1 Telomerase inhibitors and methods of their use KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-08-29 US disclosed
WO-2002051409-A1 TELOMERASE INHIBITORS AND METHODS OF THEIR USE GERON CORPORATION (US) 2002-07-04 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 (4 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-20020120144-A1 Telomerase inhibitors and methods of their use TERT, TERF2, POT1 APLNR 3784/4885ALDH1A1 786/4885L3MBTL1 952/4885
US-20130190288-A1 BENZYL SULFONAMIDE DERIVATIVES AS RORC MODULATORS RORA, RORC, RORB APLNR 2108/4885ALDH1A1 1026/4885L3MBTL1 2925/4885
US-20140275032-A1 ARYL SULFAMIDE AND SULFAMATE DERIVATIVES AS RORc MODULATORS RORA, RORC, RORB APLNR 1509/4885ALDH1A1 684/4885L3MBTL1 4033/4885
US-20060058361-A1 Therapeutic diphenyl ether ligands HTR2B, HTR2C, HTR3B APLNR 861/4885ALDH1A1 997/4885L3MBTL1 2362/4885

“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.