Sugi Predict

Sugi Predict / Compounds / SCHEMBL5074675

SCHEMBL5074675

SCHEMBL5074675

O=S(=O)(C(/C=C/c1ccc(Cl)cc1)c1ccc(Br)cc1)C(/C=C/c1ccc(Cl)cc1)c1ccc(Br)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.38
▸ GPR183 P32249 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ CNR1 P21554 2/20 0.36
▸ MAOB P27338 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ STAT3 P40763 1/20 0.35
▸ HDAC4 P56524 2/20 0.34
▸ HDAC7 Q8WUI4 2/20 0.34
▸ HDAC5 Q9UQL6 2/20 0.34
▸ HDAC2 Q92769 2/20 0.34
▸ FBP1 P09467 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34

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
SCHEMBL1194536 1.00 AHR (0.38) AHRGPR183KMT2AMEN1CYP3A4
SCHEMBL1194958 1.00 AHR (0.38) AHRGPR183KMT2AMEN1CYP3A4
SCHEMBL5076100 0.92 MAPT (0.42) GPR183KMT2AMEN1CYP3A4CYP2D6
SCHEMBL5076107 0.92 MAPT (0.42) GPR183KMT2AMEN1CYP3A4CYP2D6
SCHEMBL6911087 0.92 AHR (0.44) AHRMAOBCYP1A2FBP1LMNA
SCHEMBL1194120 0.92 AHR (0.44) AHRMAOBCYP1A2FBP1LMNA
SCHEMBL5872239 0.84 MAPT (0.37) KMT2AMEN1CYP3A4CYP2D6MAPT
SCHEMBL1194100 0.84 MAPT (0.40) GPR183KMT2AMEN1CYP3A4CYP2D6
SCHEMBL1194770 0.84 ALDH1A1 (0.41) GPR183KMT2AMEN1CYP3A4CYP2D6
SCHEMBL1194057 0.84 MAOB (0.50) AHRKMT2AMEN1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6548553-B2 Therapy of proliferative disease other than prostate or breast cancer comprising administering styryl sulfone derivative TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2003-04-15 — — US claimed
US-6359013-B1 BREAST AND PROSTATE CANCER; AFFECT THE MAPK SIGNAL TRANSDUCTION PATHWAY, THEREBY TUMOR CELL GROWTH; INHIBIT THE GROWTH OF TUMOR CELLS WITHOUT AFFECTING NORMAL CELLS; 4-FLUOROSTYRYL 4-BROMOBENZYL SULFONE TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2002-03-19 — — US claimed
US-20020022666-A1 Styryl sulfone anticancer agents TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2002-02-21 — — US claimed
EP-1370253-B1 USE OF ALPHA, BETA UNSATURATED ARYL SULFONES FOR PROTECTING CELLS AND TISSUES FROM IONIZING RADIATION TOXICITY UNIV TEMPLE (US) 2008-09-03 — — EP 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 (1 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-20020022666-A1 Styryl sulfone anticancer agents BCL2, MCL1, BCL2A1 AHR 2684/4885GPR183 2303/4885KMT2A 401/4885

“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.