SCHEMBL4764876

SCHEMBL4764876

CC(O)(Cc1ccc(F)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.45
BLM P54132 1/20 0.44
KDM4E B2RXH2 1/20 0.44
RIPK1 Q13546 2/20 0.42
CTBP2 P56545 1/20 0.41
FFAR1 O14842 1/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 1/20 0.39
MME P08473 2/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
ACE P12821 1/20 0.38
DPP4 P27487 1/20 0.38
GAA P10253 1/20 0.38
GRM2 Q14416 1/20 0.38
GRM3 Q14832 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
SCHEMBL13520471 0.83 GRM2 (0.50) HPGDKDM4ERIPK1FFAR1GRM2
SCHEMBL23430239 0.82 HPGD (0.46) HPGDBLMKDM4ERIPK1CTBP2
SCHEMBL5394972 0.82 PPARG (0.49) HPGDBLMKDM4ERIPK1CTBP2
SCHEMBL13809480 0.82 BLM (0.65) HPGDBLMKDM4EPOLBAPEX1
SCHEMBL180161 0.82 SMN1; SMN2 (0.55) BLM
SCHEMBL1275761 0.82 SMN1; SMN2 (0.55) BLM
SCHEMBL3361395 0.82 SMN1; SMN2 (0.55) BLM
SCHEMBL2175090 0.81 BLM (0.44) HPGDBLMKDM4EPOLBAPEX1
SCHEMBL2175094 0.81 BLM (0.44) HPGDBLMKDM4EPOLBAPEX1
SCHEMBL28417924 0.80 CTBP2 (0.43) HPGDBLMKDM4ECTBP2FFAR1

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-7645898-B2 Selective androgen receptor modulators and method of use thereof UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2010-01-12 US disclosed
US-7645898-B2 Selective androgen receptor modulators and method of use thereof UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2010-01-12 US disclosed
EP-1954263-A2 COMPOSITION FOR INCREASING STEADY STATE PLASMA LEVELS OF BICALUTAMIDE AstraZeneca AB (SE) 2008-08-13 EP disclosed
US-20080161404-A1 Bicalutamide for Delivering Increasing Steady State Plasma Levels ASTRAZENECA AB (SE) 2008-07-03 US disclosed
US-20070173546-A1 Selective androgen receptor modulators and method of use thereof UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2007-07-26 US disclosed
US-20070173546-A1 Selective androgen receptor modulators and method of use thereof UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2007-07-26 US disclosed
US-20070161608-A1 Selective androgen receptor modulators for treating muscle wasting UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2007-07-12 US disclosed
US-20070161608-A1 Selective androgen receptor modulators for treating muscle wasting UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2007-07-12 US disclosed
US-20070123563-A1 Selective androgen receptor modulators and method of use thereof UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2007-05-31 US disclosed
US-20070123563-A1 Selective androgen receptor modulators and method of use thereof UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2007-05-31 US disclosed
WO-2003097035-A1 NON-STEROIDAL ANTI-ANDROGEN THERAPY ASTRAZENECA UK LIMITED (GB) 2003-11-27 WO disclosed
US-6593492-B1 Reacting hydroxyalkylcarboxylic acid derivative with cinchonidine; salt formation; contact with methylene chloride and diethyl ether solvent; acylation, amidation NOBEX CORPORATION 2003-07-15 US disclosed
WO-2003043606-A1 PHARMACEUTICAL FORMULATION COMPRISING BICALUTAMIDE ASTRAZENECA UK LIMITED (GB) 2003-05-30 WO disclosed
WO-2003043630-A1 SOLID PHARMACEUTICAL COMPOSITION COMPRISING 4-CYANO-TRIFLUORO-3-(4-FLUOROPHENYL SULPHONYL)-2-HYDROXY-2-METHYLPROPIONO- M TOLUIDIDE, PVP, AN ANTI-OESTROGEN AND/OR AN AROMATASE INHIBITOR ASTRAZENECA UK LIMITED (GB) 2003-05-30 WO disclosed
WO-2003032950-A1 PHARMACEUTICAL FORMULATION COMPRISING (R) -BICALUTAMIDE ASTRAZENECA AB (SE) 2003-04-24 WO disclosed
CN-1413188-A Resolution of intermediates in synthesis of substantially pure bicalutamide NOBEX CORP (US) 2003-04-23 CN disclosed
WO-2002080902-A1 SOLID PHARMACEUTICAL COMPOSITION COMPRISING 4 -CYANO-TRIFLUORO-3-(4-FLUOROPHENYLSULPHONYL)-2-HYDROXY-2-METHYLPROPIONO- M TOLUIDIDE AND PVP ASTRAZENECA AB (SE) 2002-10-17 WO disclosed
EP-1224167-A1 RESOLUTION OF INTERMEDIATES IN THE SYNTHESIS OF SUBSTANTIALLY PURE BICALUTAMIDE Nobex Corporation (US) 2002-07-24 EP disclosed
WO-2001034563-A1 RESOLUTION OF INTERMEDIATES IN THE SYNTHESIS OF SUBSTANTIALLY PURE BICALUTAMIDE NOBEX CORPORATION (US) 2001-05-17 WO disclosed
US-5985868-A TREATMENT OF ANDROGEN-DEPENDENT PROSTATE CANCER; ALSO FOR TREATMENT OF BENIGN PROSTATIC HYPERTROPHY OR HYPERPLASIA, ACNE AND HIRSUTISM SEPRACOR INC. (US) 1999-11-16 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 (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-20080161404-A1 Bicalutamide for Delivering Increasing Steady State Plasma Levels AR, MME, SHBG HPGD 703/4885BLM 4860/4885KDM4E 44/4885
US-20070173546-A1 Selective androgen receptor modulators and method of use thereof AR, SHBG, ESRRA HPGD 1141/4885BLM 4617/4885KDM4E 1076/4885
US-20070123563-A1 Selective androgen receptor modulators and method of use thereof AR, SHBG, ESRRA HPGD 1141/4885BLM 4617/4885KDM4E 1076/4885
US-20070161608-A1 Selective androgen receptor modulators for treating muscle wasting AR, ESRRA, SHBG HPGD 1872/4885BLM 4620/4885KDM4E 572/4885

“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.