Sugi Predict

Sugi Predict / Compounds / SCHEMBL751985

SCHEMBL751985

SCHEMBL751985

CCC(C(=O)O)c1cnc(N)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM8 O00222 1/20 0.47
▸ GRM4 Q14833 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ CSNK2A1 P68400 1/20 0.41
▸ NOS1 P29475 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ AKR1C3 P42330 4/20 0.33
▸ AKR1C2 P52895 4/20 0.33
▸ CPB2 Q96IY4 3/20 0.33
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 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
SCHEMBL5029681 0.77 GRM8 (0.47) GRM8GRM4SMN1; SMN2CSNK2A1NOS1
SCHEMBL13095825 0.75 GRM8 (0.51) GRM8GRM4SMN1; SMN2CSNK2A1NOS1
SCHEMBL10074962 0.75 GRM8 (0.51) GRM8GRM4SMN1; SMN2CSNK2A1NOS1
SCHEMBL4255118 0.75 GRM8 (0.51) GRM8GRM4SMN1; SMN2CSNK2A1NOS1
SCHEMBL5119808 0.74 NOS1 (0.45) GRM8GRM4SMN1; SMN2CSNK2A1NOS1
Water SCHEMBL11005843 0.74 GRM8 (0.50) GRM8GRM4SMN1; SMN2CSNK2A1NOS1
SCHEMBL11037988 0.71 SMN1; SMN2 (0.54) GRM8GRM4SMN1; SMN2CSNK2A1NOS1
SCHEMBL5712619 0.70 PSEN1 (0.45) GRM8GRM4SMN1; SMN2ALDH1A1
SCHEMBL5712463 0.70 PSEN1 (0.44) GRM8GRM4SMN1; SMN2CSNK2A1
SCHEMBL1678968 0.70 CSNK2A2 (0.48) SMN1; SMN2CSNK2A1ALDH1A1NPC1MAPT

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
EP-1996563-B1 HETEROBICYCLIC SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2012-03-21 — — EP disclosed
US-8030308-B2 Bicyclic sulfonamide derivatives which are L-CPT 1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2011-10-04 — — US disclosed
US-20110046112-A1 NOVEL BICYCLIC SULFONAMIDE DERIVATIVES WHICH ARE L-CPT1 INHIBITORS ACKERMANN JEAN 2011-02-24 — — US disclosed
US-7879845-B2 Liver carnitine-dependent palmitoyltransferase (L-CPT1) inhibitors such as 4-{[4-(5-Chloro-2-methoxy-benzenesulfonyl)-3,4-dihydro-2H-benzo[1,4]thiazine-6-carbonyl]-amino}-benzoic acid, used for the treatment of non-insulin dependent diabetes; antidiabetic agents HOFFMANN-LA ROCHE INC. (US) 2011-02-01 — — 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-20110046112-A1 NOVEL BICYCLIC SULFONAMIDE DERIVATIVES WHICH ARE L-CPT1 INHIBITORS CPT1A, CPT1B, CPT2 GRM8 3843/4885GRM4 3570/4885SMN1; SMN2 2801/4885

“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.