SCHEMBL455239

SCHEMBL455239

CC(C)(C)c1cc(F)ccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.50
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
RBP4 P02753 3/20 0.43
GLRA3 O75311 1/20 0.42
GLRB P48167 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
NOTUM Q6P988 1/20 0.41
RXRB P28702 1/20 0.41
DHODH Q02127 1/20 0.41
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CLCN2 P51788 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
DHFR P00374 1/20 0.40

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
SCHEMBL12251405 0.86 CES2 (0.44) KEAP1CES2CES1RBP4KMT2A
SCHEMBL13145643 0.86 KEAP1 (0.53) KEAP1CES2CES1RBP4GLRA3
SCHEMBL8976949 0.85 CES2 (0.42) KEAP1CES2CES1RBP4KMT2A
SCHEMBL334641 0.82 KEAP1 (0.52) KEAP1CES2CES1RXRBKMT2A
SCHEMBL8572602 0.80 KEAP1 (0.50) KEAP1CES2CES1NOTUMKMT2A
SCHEMBL195743 0.78 TDP1 (0.44) GLRA3GLRBTDP1RXRBATM
SCHEMBL1355541 0.78 TDP1 (0.54) GLRA3GLRBTDP1RXRBKDM4E
SCHEMBL29654078 0.78 ALDH1A1 (0.57) CES2GLRA3GLRBTDP1RXRB
SCHEMBL4631399 0.78 TDP1 (0.59) GLRA3GLRBTDP1NOTUMRXRB
SCHEMBL38809 0.78 ALDH1A1 (0.57) CES2GLRA3GLRBTDP1RXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210355113-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2021-11-18 US disclosed
EP-2291358-B1 GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE MERCK SHARP & DOHME (US) 2018-03-28 EP disclosed
US-9758492-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-9758492-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-20160200674-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-07-14 US disclosed
US-9040563-B2 Dual inhibitors of farnesyltransferase and geranylgeranyltransferase I H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2015-05-26 US disclosed
US-8623818-B2 Glucagon receptor antagonists, compositions, and methods for their use MERCK SHARP & DOHME CORP. (US) 2014-01-07 US disclosed
EP-2007720-B1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2013-12-25 EP disclosed
US-8598168-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2013-12-03 US disclosed
US-20130190355-A1 DUAL INHIBITORS OF FARNESYLTRANSFERASE AND GERANYLGERANYLTRANSFERASE I YALE UNIVERSITY (US) 2013-07-25 US disclosed
US-20040192681-A1 N-acylsulfonamide apoptosis promoters ABBVIE INC. 2004-09-30 US disclosed
US-6720338-B2 BCL-X1 INHIBITING COMPOSITIONS AND METHODS OF PROMOTING APOPTOSIS IN A MAMMAL ABBOTT LABORATORIES 2004-04-13 US disclosed
EP-1318978-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS Abbott Laboratories (US) 2003-06-18 EP disclosed
US-20020086887-A1 N-Acylsulfonamide apoptosis promoters ABBVIE INC. 2002-07-04 US disclosed
US-20020055631-A1 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES 2002-05-09 US disclosed
WO-2002024636-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2002-03-28 WO disclosed
WO-2000048993-A1 ARYLAMINOALKYLAMIDES NOVARTIS AG (CH) 2000-08-24 WO disclosed
EP-0640080-A1 SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS. SYNTEX INC (US) 1995-03-01 EP disclosed
US-5380739-A Angiotensin II antagonists SYNTEX (U.S.A.) INC. (US) 1995-01-10 US disclosed
WO-1993023391-A1 SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1993-11-25 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-20020086887-A1 N-Acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 KEAP1 3258/4885CES2 2026/4885CES1 486/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 KEAP1 2827/4885CES2 2065/4885CES1 436/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 KEAP1 3258/4885CES2 2026/4885CES1 486/4885
US-20160200674-A1 IDO INHIBITORS IDO1, IDO2, INMT KEAP1 485/4885CES2 2983/4885CES1 1856/4885
US-20130190355-A1 DUAL INHIBITORS OF FARNESYLTRANSFERASE AND GERANYLGERANYLTRANSFERASE I FNTA, FNTB, GDI1 KEAP1 710/4885CES2 3243/4885CES1 296/4885
US-20210355113-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT KEAP1 850/4885CES2 1371/4885CES1 876/4885

“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.