SCHEMBL4185091

SCHEMBL4185091

COC(=O)c1cccc(NCS(C)(=O)=O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.66
EGFR P00533 1/20 0.54
MAPK1 P28482 1/20 0.54
HSD17B10 Q99714 1/20 0.54
RAB9A P51151 4/20 0.54
TCF4 P15884 2/20 0.53
CTNNB1 P35222 2/20 0.53
ALDH1A1 P00352 2/20 0.52
NPC1 O15118 3/20 0.51
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 1/20 0.49
TP53 P04637 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.49
ABL1 P00519 1/20 0.48
RIN1 Q13671 1/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL3855096 0.84 AKR1C3 (0.58) POLBRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL3960465 0.84 ALDH1A1 (0.50) POLBHSD17B10ALDH1A1MAPTSMN1; SMN2
SCHEMBL25174147 0.81 RAB9A (0.59) POLBEGFRMAPK1HSD17B10RAB9A
SCHEMBL6091535 0.81 HPGD (0.58) POLBHSD17B10RAB9AALDH1A1NPC1
SCHEMBL30445248 0.81 RAB9A (0.59) POLBEGFRMAPK1HSD17B10RAB9A
SCHEMBL23518403 0.80 RAB9A (0.59) POLBEGFRMAPK1HSD17B10RAB9A
SCHEMBL29582937 0.80 POLB (1.00) POLBMAPK1HSD17B10RAB9ATCF4
SCHEMBL4186439 0.80 POLB (1.00) POLBMAPK1HSD17B10RAB9ATCF4
SCHEMBL165561 0.79 ALDH1A1 (0.46) POLBHSD17B10ALDH1A1MAPTSMN1; SMN2
SCHEMBL8672958 0.78 RAB9A (0.60) POLBEGFRMAPK1HSD17B10RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090035313-A1 Compounds PFIZER INC. 2009-02-05 US disclosed
EP-1651641-B1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LTD (GB) 2007-05-23 EP disclosed
EP-1651640-B1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LTD (GB) 2007-02-14 EP disclosed
US-20060178408-A1 Nicotinamide derivatives useful as pde4 inhibitors BARBER CHRISTOPHER G 2006-08-10 US disclosed
EP-1651641-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS Pfizer Limited (GB) 2006-05-03 EP disclosed
EP-1651640-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS Pfizer Limited (GB) 2006-05-03 EP disclosed
US-20050043326-A1 Compounds PFIZER INC 2005-02-24 US disclosed
WO-2005009995-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed
WO-2005009994-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed
US-20050020611-A1 Compounds PFIZER INC. 2005-01-27 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 (4 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-20050020611-A1 Compounds NQO1, NAMPT, NNT POLB 1310/4885EGFR 3944/4885MAPK1 2036/4885
US-20060178408-A1 Nicotinamide derivatives useful as pde4 inhibitors PDE4A, PDE4B, PDE4C POLB 1018/4885EGFR 4670/4885MAPK1 1157/4885
US-20090035313-A1 Compounds NQO1, NAMPT, NNT POLB 1310/4885EGFR 3944/4885MAPK1 2036/4885
US-20050043326-A1 Compounds NQO1, NAMPT, NNT POLB 1310/4885EGFR 3944/4885MAPK1 2036/4885

“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.