SCHEMBL533709

SCHEMBL533709

Fc1ccc(-c2cc[c]cc2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
CYP17A1 P05093 1/20 0.46
NOTUM Q6P988 1/20 0.39
KIF11 P52732 3/20 0.36
HSD17B1 P14061 3/20 0.35
HSD17B2 P37059 3/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PGR P06401 3/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
KMO O15229 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33

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
SCHEMBL13741967 0.82 CYP17A1 (0.52) CYP11B1CYP11B2CYP17A1NOTUMKIF11
SCHEMBL5326221 0.80 NISCH (0.46) CYP11B1CYP11B2KIF11HSD17B1HSD17B2
SCHEMBL533100 0.80 AHR (0.41) CYP11B1CYP11B2KIF11HSD17B1HSD17B2
SCHEMBL533894 0.80 NISCH (0.46) HSD17B1HSD17B2PGRKMO
SCHEMBL5327942 0.80 DAPK3 (0.42) HSD17B1HSD17B2
SCHEMBL18952591 0.78 ALOX5 (0.37) CYP11B1CYP11B2
SCHEMBL695872 0.78 ANPEP (0.33) CES2CES1
SCHEMBL19665044 0.77 CYP11B1 (0.50) CYP11B1CYP11B2CYP17A1NOTUMKIF11
SCHEMBL5327983 0.77 CYP11B2 (0.58) CYP11B1CYP11B2
SCHEMBL28666553 0.77 KIF11 (0.46) KIF11KMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017078927-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2017-05-11 WO claimed
EP-3116851-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING Salk Institute for Biological Studies (US) 2017-01-18 EP claimed
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP claimed
WO-2015138969-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2015-09-17 WO claimed
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 US claimed
US-8471016-B2 Process for the preparation of chiral beta amino carboxamide derivatives SUN PHARMACEUTICAL INDUSTRIES LTD. 2013-06-25 US claimed
EP-2566843-A2 PROCESS FOR THE PREPARATION OF CHIRAL BETA AMINO CARBOXAMIDE DERIVATIVES Sun Pharmaceutical Industries Limited (IN) 2013-03-13 EP claimed
US-20130041150-A1 PROCESS FOR THE PREPARATION OF CHIRAL BETA AMINO CARBOXAMIDE DERIVATIVES SUN PHARMACEUTICAL INDUSTRIES LTD (IN) 2013-02-14 US claimed
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA UBE INDUSTRIES, LTD. (JP) 2012-07-26 US claimed
EP-2415763-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA Ube Industries, Ltd. (JP) 2012-02-08 EP claimed
WO-2011135586-A2 PROCESS FOR THE PREPARATION OF CHIRAL BETA AMINO CARBOXAMIDE DERIVATIVES SUN PHARMACEUTICAL INDUSTRIES LTD. (IN) 2011-11-03 WO claimed
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE CORPORATION (JP) 2011-03-03 US claimed
EP-2264009-A1 PYRIDYLAMINOACETIC ACID COMPOUND Ube Industries, Ltd. (JP) 2010-12-22 EP claimed
US-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 US claimed
WO-2007135527-A2 BENZIMIDAZOLYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-29 WO claimed
WO-2007135529-A2 AZABENZIMIDAZOLYL COMPOUNDS AS MGLUR2 POTENTIATORS PFIZER PRODUCTS INC. (US) 2007-11-29 WO claimed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 US claimed
WO-2005014534-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 WO claimed
EP-3116851-B1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INST FOR BIOLOGICAL STUDI (US) 2023-07-26 EP disclosed
US-4057647-A Araliphatic dihalogen compounds and process for their preparation MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-11-08 US 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 (5 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-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 CYP11B1 518/4885CYP11B2 228/4885CYP17A1 2217/4885
US-20130041150-A1 PROCESS FOR THE PREPARATION OF CHIRAL BETA AMINO CARBOXAMIDE DERIVATIVES BCAT2, BCAT1, SUCLA2 CYP11B1 125/4885CYP11B2 104/4885CYP17A1 1381/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 CYP11B1 541/4885CYP11B2 264/4885CYP17A1 2277/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 CYP11B1 32/4885CYP11B2 25/4885CYP17A1 498/4885
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO CYP11B1 47/4885CYP11B2 46/4885CYP17A1 188/4885

“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.