SCHEMBL12820020

SCHEMBL12820020

Cc1ccc(CC(=O)c2ccccc2C(=O)O)cc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.59
TP53 P04637 1/20 0.59
ALDH1A1 P00352 4/20 0.55
CYP1A2 P05177 1/20 0.51
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALOX15 P16050 1/20 0.45
PSMB8 P28062 2/20 0.43
PSMB5 P28074 2/20 0.43
FOLH1 Q04609 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
APEX1 P27695 1/20 0.42
FAAH O00519 1/20 0.42
SRD5A2 P31213 1/20 0.42
MCL1 Q07820 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL1555065 0.81 KMT2A (0.54) ALDH1A1KMT2AMEN1LMNAGAA
SCHEMBL1787541 0.79 USP2 (0.69) USP2TP53ALDH1A1KMT2AMEN1
SCHEMBL22675387 0.77 USP2 (0.55) USP2TP53ALDH1A1CYP1A2KMT2A
SCHEMBL9130363 0.76 USP2 (0.54) USP2TP53ALDH1A1KMT2AMEN1
SCHEMBL1689462 0.75 FOLH1 (0.54) USP2TP53ALDH1A1KMT2AALOX15
SCHEMBL969589 0.75 HPGD (0.55) ALDH1A1KMT2AMEN1LMNAGAA
SCHEMBL7811204 0.75 TP53 (0.64) USP2TP53ALDH1A1CYP1A2KMT2A
SCHEMBL7663868 0.75 USP2 (0.64) USP2TP53ALDH1A1CYP1A2KMT2A
SCHEMBL29351857 0.75 USP2 (0.64) USP2TP53ALDH1A1CYP1A2KMT2A
Phthalic Acid SCHEMBL20659668 0.74 ALDH1A1 (0.74) ALDH1A1CYP1A2KMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9782399-B2 Pharmaceutical compositions which inhibit FKBP52-mediated regulation of androgen receptor function and methods of using same THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-10-10 US disclosed
US-9561201-B2 Therapeutic compounds FIBROTECH THERAPEUTICS PTY LTD (AU) 2017-02-07 US disclosed
US-20160151350-A1 PHARMACEUTICAL COMPOSITIONS WHICH INHIBIT FKBP52-MEDIATED REGULATION OF ANDROGEN RECEPTOR FUNCTION AND METHODS OF USING SAME US HEALTH (US) 2016-06-02 US disclosed
US-20160030369-A1 FKBP52 TARGETING AGENT PHARMACEUTICAL COMPOSITIONS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2016-02-04 US disclosed
US-9233973-B2 Pharmaceutical compositions which inhibit FKBP52-mediated regulation of androgen receptor function and methods of using same THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-01-12 US disclosed
US-20150011516-A1 PHARMACEUTICAL COMPOSITIONS WHICH INHIBIT FKBP52-MEDIATED REGULATION OF ANDROGEN RECEPTOR FUNCTION AND METHODS OF USING SAME US HEALTH (US) 2015-01-08 US disclosed
US-20140357628-A1 THERAPEUTIC COMPOUNDS FIBROTECH THERAPEUTICS PTY LTD (AU) 2014-12-04 US disclosed
US-8859207-B2 Pharmaceutical compositions which inhibit FKBP52-mediated regulation of androgen receptor function and methods of using same THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-10-14 US disclosed
US-20120283215-A1 PHARMACEUTICAL COMPOSITIONS WHICH INHIBIT FKBP52-MEDIATED REGULATION OF ANDROGEN RECEPTOR FUNCTION AND METHODS OF USING SAME THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF 2012-11-08 US disclosed
US-20120283215-A1 PHARMACEUTICAL COMPOSITIONS WHICH INHIBIT FKBP52-MEDIATED REGULATION OF ANDROGEN RECEPTOR FUNCTION AND METHODS OF USING SAME THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF 2012-11-08 US disclosed
WO-2011034834-A2 PHARMACEUTICAL COMPOSITIONS WHICH INHIBIT FKBP52-MEDIATED REGULATION OF ANDROGEN RECEPTOR FUNCTION AND METHODS OF USING SAME THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-03-24 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 (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-20140357628-A1 THERAPEUTIC COMPOUNDS NFATC1, AADAC, NAT1 USP2 4209/4885TP53 1161/4885ALDH1A1 201/4885
US-20120283215-A1 PHARMACEUTICAL COMPOSITIONS WHICH INHIBIT FKBP52-MEDIATED REGULATION OF ANDROGEN RECEPTOR FUNCTION AND METHODS OF USING SAME SHBG, FKBP2, NR5A1 USP2 1138/4885TP53 1229/4885ALDH1A1 3994/4885
US-20160151350-A1 PHARMACEUTICAL COMPOSITIONS WHICH INHIBIT FKBP52-MEDIATED REGULATION OF ANDROGEN RECEPTOR FUNCTION AND METHODS OF USING SAME SHBG, FKBP2, NR5A1 USP2 1138/4885TP53 1229/4885ALDH1A1 3994/4885
US-20150011516-A1 PHARMACEUTICAL COMPOSITIONS WHICH INHIBIT FKBP52-MEDIATED REGULATION OF ANDROGEN RECEPTOR FUNCTION AND METHODS OF USING SAME SHBG, FKBP2, NR5A1 USP2 1138/4885TP53 1229/4885ALDH1A1 3994/4885
US-20160030369-A1 FKBP52 TARGETING AGENT PHARMACEUTICAL COMPOSITIONS FKBP2, FKBP1A, FKBP8 USP2 1532/4885TP53 434/4885ALDH1A1 4559/4885

“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.