Sugi Predict

Sugi Predict / Compounds / SCHEMBL4043739

SCHEMBL4043739

SCHEMBL4043739

O=C1[C@H]2[C@@H]3C[C@@H](CN3S(=O)(=O)c3ccc(F)cc3)N2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 9/20 0.59
▸ CTSB P07858 2/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ HTR1A P08908 2/20 0.35
▸ HTR7 P34969 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ LMNA P02545 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ATM Q13315 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ PKM P14618 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
SCHEMBL4046817 1.00 AR (0.59) ARCTSBPTGDR2HTR1AHTR7
SCHEMBL14033659 1.00 AR (0.59) ARCTSBPTGDR2HTR1AHTR7
SCHEMBL4040149 0.88 AR (0.57) ARCTSBKMT2AMEN1
SCHEMBL4040446 0.83 AR (0.59) ARCTSBALDH1A1LMNAMAPT
SCHEMBL14033476 0.83 AR (0.59) ARCTSBALDH1A1LMNAMAPT
SCHEMBL4042390 0.83 AR (0.58) ARCTSBALDH1A1KMT2ALMNA
SCHEMBL6377000 0.83 AR (0.58) ARCTSBALDH1A1KMT2ALMNA
SCHEMBL6376122 0.83 AR (0.60) ARCTSBALDH1A1KMT2ALMNA
SCHEMBL4214724 0.83 AR (0.60) ARCTSBALDH1A1KMT2ALMNA
SCHEMBL6492936 0.81 AR (0.77) ARCTSBALDH1A1KMT2AMEN1

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
US-7432267-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMAPNY (US) 2008-10-07 — — US claimed
US-20050282813-A1 Fused cyclic modulators of nuclear hormone receptor function SALVATI MARK E 2005-12-22 — — US claimed
EP-1463728-A4 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2005-12-21 — — EP claimed
EP-1463728-A2 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2004-10-06 — — EP claimed
US-20040077606-A1 Fused cyclic modulators of nuclear hormone receptor function REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-04-22 — — US claimed
WO-2003053354-A2 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 — — WO claimed
US-20030114420-A1 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2003-06-19 — — US claimed
WO-2009025919-A2 5-PROPARGYL-PYRIMIDINE DERIVATIVES AS INHIBITORS OF DIHYDROFOLATE REDUCTASE WITH ANTIBACTERIAL ANTIPROTOZOAL, ANTIFUNGAL AND ANTICANCER PROPERTIES UNIVERSITY OF CONNECTICUT (US) 2009-02-26 — — WO 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20050282813-A1 Fused cyclic modulators of nuclear hormone receptor function NR2C2, NR0B2, NR0B1 AR 32/4885CTSB 4693/4885PTGDR2 143/4885
US-20030114420-A1 Fused cyclic modulators of nuclear hormone receptor function NCOA1, ESRRA, NR3C1 AR 43/4885CTSB 4427/4885PTGDR2 221/4885
US-20040077606-A1 Fused cyclic modulators of nuclear hormone receptor function NCOA1, ESRRA, NR3C1 AR 43/4885CTSB 4427/4885PTGDR2 221/4885

“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.