Sugi Predict

Sugi Predict / Compounds / SCHEMBL12689481

SCHEMBL12689481

SCHEMBL12689481

O=S(=O)(Cc1ccccc1Cl)c1ccc2[nH]c(-c3nccs3)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 3/20 0.42
▸ METAP1 P53582 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CBFB Q13951 2/20 0.38
▸ CYP1A2 P05177 5/20 0.37
▸ CYP3A4 P08684 5/20 0.37
▸ CYP2C9 P11712 4/20 0.37
▸ CYP2D6 P10635 3/20 0.37
▸ CYP2C19 P33261 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ EGLN1 Q9GZT9 1/20 0.36
▸ SLC16A3 O15427 1/20 0.35
▸ SLC16A1 P53985 1/20 0.35
▸ MCTS1 Q9ULC4 1/20 0.35
▸ AKR1B1 P15121 1/20 0.35
▸ SCD O00767 1/20 0.35

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
SCHEMBL1822351 0.85 CBFB (0.55) GRM4METAP1KDM4EKMT2ACBFB
SCHEMBL6915101 0.81 CBFB (0.41) GRM4KDM4EKMT2ACBFBCYP1A2
SCHEMBL6924680 0.81 GRM4 (0.49) GRM4METAP1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6916201 0.80 METAP1 (0.51) GRM4METAP1KDM4EKMT2ACBFB
SCHEMBL6915733 0.78 CYP2C9 (0.46) GRM4KDM4EKMT2ACBFBCYP1A2
SCHEMBL6915839 0.77 CYP1A2 (0.44) GRM4KDM4EKMT2ACBFBCYP1A2
SCHEMBL12689566 0.77 CYP2C9 (0.47) KDM4EKMT2ACBFBCYP1A2CYP3A4
SCHEMBL6915845 0.77 CBFB (0.50) GRM4METAP1KDM4EKMT2ACBFB
SCHEMBL6915094 0.77 EGLN1 (0.37) GRM4KDM4EKMT2ACYP1A2CYP3A4
SCHEMBL6915491 0.76 CBFB (0.54) GRM4METAP1KDM4EKMT2ACBFB

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-8912336-B2 Aryl and heteroaryl sulfones as mGluR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY (US) 2014-12-16 — — US disclosed
US-8912336-B2 Aryl and heteroaryl sulfones as mGluR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY (US) 2014-12-16 — — US disclosed
US-20120245185-A1 ARYL AND HETEROARYL SULFONES AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY (US) 2012-09-27 — — US disclosed
US-20120245185-A1 ARYL AND HETEROARYL SULFONES AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY (US) 2012-09-27 — — 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 (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-20120245185-A1 ARYL AND HETEROARYL SULFONES AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION GRM4, GRIK4, GRM2 GRM4 1/4885METAP1 3802/4885KDM4E 675/4885

“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.