SCHEMBL2413441

SCHEMBL2413441

CC(C)Cc1cnc(S(C)(=O)=O)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
CXCR1 P25024 3/20 0.36
CXCR2 P25025 3/20 0.36
KDM4E B2RXH2 3/20 0.36
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
XBP1 P17861 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TLR9 Q9NR96 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
ABL1 P00519 1/20 0.32
RAB9A P51151 1/20 0.32
PTGS1 P23219 2/20 0.32

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
SCHEMBL12143311 0.77 NPC1 (0.42) ALDH1A1KDM4ESMN1; SMN2NPC1TP53
SCHEMBL31754300 0.77 HSD17B10 (0.49) KDM4EHSD17B10PTGS1PTGS2HTR2A
SCHEMBL17000170 0.76 RORC (0.45) ALDH1A1CXCR1CXCR2KDM4EPOLB
SCHEMBL27371612 0.75 NPC1 (0.38) ALDH1A1KDM4ESMN1; SMN2NPC1TP53
SCHEMBL29848960 0.73 NPC1 (0.54) ALDH1A1KDM4ESMN1; SMN2NPC1TP53
SCHEMBL2412593 0.72 CHRNA7 (0.37) ALDH1A1SMN1; SMN2NPC1TP53MAPT
SCHEMBL22481812 0.72 TP53 (0.40) ALDH1A1KDM4ESMN1; SMN2NPC1TP53
SCHEMBL2625522 0.72 GABRA1 (0.38) CXCR1CXCR2KDM4EPOLBSMN1; SMN2
SCHEMBL18858528 0.72 GABRA1 (0.38) ALDH1A1CXCR1CXCR2KDM4EPOLB
SCHEMBL21030197 0.71 LMNA (0.32) ALDH1A1SMN1; SMN2NPC1TP53MAPT

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-8026370-B2 Peroxisome proliferator antagonist; hyperlipemia agents; arteriosclerosis; antiischemic agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-27 US disclosed
US-8026370-B2 Peroxisome proliferator antagonist; hyperlipemia agents; arteriosclerosis; antiischemic agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-27 US disclosed
US-20080167307-A1 Carboxylic Acid Derivative Containing Thiazole Ring and Pharmaceutical Use Thereof MITSUBISHI PHAMA CORPORATION (JP) 2008-07-10 US disclosed
US-20080167307-A1 Carboxylic Acid Derivative Containing Thiazole Ring and Pharmaceutical Use Thereof MITSUBISHI PHAMA CORPORATION (JP) 2008-07-10 US disclosed
CN-101068797-A Carboxylic acid derivative containing thiazole ring and pharmaceutical use thereof MITSUBISHI PHARMA CORP (JP) 2007-11-07 CN disclosed
EP-1816128-A1 CARBOXYLIC ACID DERIVATIVE CONTAINING THIAZOLE RING AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2007-08-08 EP 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-20080167307-A1 Carboxylic Acid Derivative Containing Thiazole Ring and Pharmaceutical Use Thereof PPARA, PPARD, PPARG ALDH1A1 175/4885CXCR1 1840/4885CXCR2 1330/4885

“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.