Sugi Predict

Sugi Predict / Compounds / SCHEMBL2948972

SCHEMBL2948972

SCHEMBL2948972

CCOC(=O)c1sc2c(ccc(=O)n2-c2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)c1Nc1ccc(F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ MAP2K2 P36507 1/20 0.35
▸ MAP2K1 Q02750 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ HTT P42858 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
SCHEMBL2954067 0.89 MAPK14 (0.42) MAPK14ALDH1A1HSD17B10HPGDALOX15
SCHEMBL2958991 0.88 ALDH1A1 (0.39) MAPK14ALDH1A1HSD17B10HPGDALOX15
SCHEMBL2958080 0.88 ALDH1A1 (0.42) MAPK14ALDH1A1HSD17B10HPGDALOX15
SCHEMBL1266007 0.87 MAPT (0.42) MAPK14ALDH1A1HSD17B10HPGDALOX15
SCHEMBL2959249 0.85 ALDH1A1 (0.37) MAPK14ALDH1A1HSD17B10HPGDALOX15
SCHEMBL2952219 0.85 ATM (0.37) MAPK14ALDH1A1HSD17B10HPGDALOX15
SCHEMBL2952416 0.83 THRB (0.37) MAPK14ALDH1A1HSD17B10HPGDALOX15
SCHEMBL2949500 0.83 ALDH1A1 (0.38) MAPK14ALDH1A1HSD17B10HPGDALOX15
SCHEMBL2958651 0.82 MAPK14 (0.37) MAPK14ALDH1A1HSD17B10HPGDALOX15
SCHEMBL2958911 0.80 PDE6D (0.36) ALDH1A1HSD17B10HPGDALOX15MAPT

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-7763729-B2 Bicyclic heteroaromatic derivatives UCB PHARMA S.A. (BE) 2010-07-27 — — US disclosed
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives CELLTECH R&D LIMITED (GB) 2009-02-12 — — US disclosed
US-7423047-B2 Arylamine substituted bicyclic heteroaromatic compounds as p38 kinase inhibitors CELLTECH R&D LIMITED (GB) 2008-09-09 — — US disclosed
US-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors UCB PHARMA S.A. (BE) 2006-01-05 — — 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 (2 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-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors MAPK1, CNKSR1, ALK MAPK14 12/4885ALDH1A1 1045/4885HSD17B10 2273/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 MAPK14 32/4885ALDH1A1 717/4885HSD17B10 2263/4885

“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.