SCHEMBL2953040

SCHEMBL2953040

CCOC(=O)c1sc2c(ccc(=O)n2-c2ccc(F)cc2)c1Nc1ccc(F)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 2/20 0.42
DHODH Q02127 9/20 0.42
HPGD P15428 3/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
KMT2A Q03164 1/20 0.39
RELA Q04206 1/20 0.39
MAPT P10636 4/20 0.38
HTT P42858 2/20 0.37
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL1266180 0.94 ALDH1A1 (0.45) ALDH1A1KDM4ELMNADHODHHPGD
SCHEMBL1267006 0.93 DHODH (0.44) ALDH1A1DHODHHPGDALOX15HSD17B10
SCHEMBL2947103 0.89 DHODH (0.40) ALDH1A1KDM4ELMNADHODHHPGD
SCHEMBL1266272 0.89 DHODH (0.40) ALDH1A1KDM4ELMNADHODHHPGD
SCHEMBL2958462 0.88 CSF1R (0.39) LMNASMN1; SMN2MAPTHTTHSP90AA1
SCHEMBL2958676 0.87 ALDH1A1 (0.47) ALDH1A1KDM4ELMNADHODHHPGD
SCHEMBL1266134 0.84 DHODH (0.44) ALDH1A1KDM4EDHODHTSHRMEN1
SCHEMBL2950317 0.82 CSF1R (0.39) ALDH1A1DHODHHPGDSMN1; SMN2MEN1
SCHEMBL1266727 0.82 DHODH (0.34) ALDH1A1LMNADHODHNPSR1TSHR
SCHEMBL2952947 0.81 DHODH (0.43) ALDH1A1KDM4ELMNADHODHHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423047-B2 Arylamine substituted bicyclic heteroaromatic compounds as p38 kinase inhibitors CELLTECH R&D LIMITED (GB) 2008-09-09 US claimed
US-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors UCB PHARMA S.A. (BE) 2006-01-05 US claimed
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 ALDH1A1 1045/4885KDM4E 2174/4885LMNA 3193/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 ALDH1A1 717/4885KDM4E 2211/4885LMNA 3052/4885

“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.