SCHEMBL4036920

SCHEMBL4036920

Cc1ccc(S(=O)(=O)OC2C[C@@H](CO)N(C(=O)O)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.46
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.38
STAT3 P40763 2/20 0.37
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 1/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR2 P34972 1/20 0.34
STS P08842 1/20 0.34
ELANE P08246 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.33
SIRT5 Q9NXA8 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
SCHEMBL4036915 1.00 CYP2D6 (0.46) CYP2D6CYP1A2POLBSTAT3TSHR
SCHEMBL6906071 1.00 CYP2D6 (0.46) CYP2D6CYP1A2POLBSTAT3TSHR
SCHEMBL6906066 1.00 CYP2D6 (0.46) CYP2D6CYP1A2POLBSTAT3TSHR
SCHEMBL22470428 0.90 CYP2D6 (0.46) CYP2D6CYP1A2POLBSTAT3TSHR
SCHEMBL15366816 0.90 CYP2D6 (0.46) CYP2D6CYP1A2POLBSTAT3TSHR
SCHEMBL26694981 0.86 STAT3 (0.37) CYP2D6CYP1A2POLBSTAT3TSHR
SCHEMBL1541453 0.85 CYP2D6 (0.42) CYP2D6CYP1A2POLBCYP3A4CYP2C19
SCHEMBL1543877 0.85 CYP2D6 (0.42) CYP2D6CYP1A2POLBCYP3A4CYP2C19
SCHEMBL29563225 0.85 CYP2D6 (0.42) CYP2D6CYP1A2POLBCYP3A4CYP2C19
SCHEMBL1541455 0.85 CYP2D6 (0.42) CYP2D6CYP1A2POLBCYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1463728-B1 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-01-14 EP disclosed
US-7432267-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMAPNY (US) 2008-10-07 US disclosed
US-7001911-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-21 US disclosed
US-20050282813-A1 Fused cyclic modulators of nuclear hormone receptor function SALVATI MARK E 2005-12-22 US disclosed
US-20050256048-A1 Selective androgen receptor modulators and methods for their identification, design and use SALVATI MARK E 2005-11-17 US disclosed
US-6960474-B2 Method for the treatment of a condition remediable by administration of a selective androgen receptor modulator BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-01 US disclosed
US-20040077606-A1 Fused cyclic modulators of nuclear hormone receptor function REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-04-22 US disclosed
US-20030114420-A1 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2003-06-19 US disclosed
EP-1299385-A2 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2003-04-09 EP disclosed
EP-1299094-A2 SELECTIVE ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR IDENTIFICATION, DESIGN AND USE Bristol-Myers Squibb Company (US) 2003-04-09 EP disclosed
US-20020173445-A1 Selective androgen receptor modulators and methods for their identification, design and use BRISTOL-MYERS SQUIBB COMPANY 2002-11-21 US disclosed
WO-2002000617-A2 SELECTIVE ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR IDENTIFICATION, DESIGN AND USE BRISTOL-MYERS SQUIBB COMPANY (US) 2002-01-03 WO disclosed
WO-2002000653-A2 FUSED CYCLIC COMPOUNDS AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2002-01-03 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-20050256048-A1 Selective androgen receptor modulators and methods for their identification, design and use AR, FSHR, LHCGR CYP2D6 1522/4885CYP1A2 969/4885POLB 4192/4885
US-20050282813-A1 Fused cyclic modulators of nuclear hormone receptor function NR2C2, NR0B2, NR0B1 CYP2D6 432/4885CYP1A2 1350/4885POLB 4094/4885
US-20020173445-A1 Selective androgen receptor modulators and methods for their identification, design and use AR, FSHR, LHCGR CYP2D6 1522/4885CYP1A2 969/4885POLB 4192/4885
US-20030114420-A1 Fused cyclic modulators of nuclear hormone receptor function NCOA1, ESRRA, NR3C1 CYP2D6 3855/4885CYP1A2 3318/4885POLB 2511/4885
US-20040077606-A1 Fused cyclic modulators of nuclear hormone receptor function NCOA1, ESRRA, NR3C1 CYP2D6 3855/4885CYP1A2 3318/4885POLB 2511/4885

“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.