SCHEMBL2413685

SCHEMBL2413685

CC(C)(Sc1nc(CCNc2ccc(-c3ccc(F)cc3)nc2)cs1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLC22A12 Q96S37 2/20 0.41
POLB P06746 4/20 0.40
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
PTPN11 Q06124 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TP53 P04637 4/20 0.37
AURKA O14965 1/20 0.37
ABL1 P00519 1/20 0.37
NTRK1 P04629 1/20 0.37
LCK P06239 1/20 0.37
CSF1R P07333 1/20 0.37
RET P07949 1/20 0.37
MET P08581 1/20 0.37
PDGFRB P09619 1/20 0.37
PIM1 P11309 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
SCHEMBL2411801 0.93 POLB (0.42) NPC1RAB9AALDH1A1SMN1; SMN2SLC22A12
SCHEMBL2413348 0.92 TP53 (0.43) SMN1; SMN2SLC22A12POLBTP53MAPT
SCHEMBL12273727 0.90 ALDH1A1 (0.43) NPC1RAB9AALDH1A1SMN1; SMN2SLC22A12
SCHEMBL2416970 0.90 NPC1 (0.42) NPC1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL2410184 0.89 SHMT2 (0.41) POLBTP53MAPTLMNA
Hydrochloric Acid SCHEMBL2411535 0.89 ALDH1A1 (0.43) NPC1RAB9AALDH1A1SMN1; SMN2SLC22A12
SCHEMBL2412843 0.89 NPC1 (0.41) NPC1RAB9AALDH1A1SMN1; SMN2SLC22A12
SCHEMBL2413254 0.86 NPC1 (0.43) NPC1RAB9AALDH1A1SMN1; SMN2SLC22A12
SCHEMBL12273061 0.86 NPC1 (0.40) NPC1RAB9AALDH1A1SMN1; SMN2SLC22A12
SCHEMBL12273692 0.85 ALDH1A1 (0.43) NPC1RAB9AALDH1A1SMN1; SMN2SLC22A12

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 7 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-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
EP-1816128-A1 CARBOXYLIC ACID DERIVATIVE CONTAINING THIAZOLE RING AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2007-08-08 EP 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 NPC1 271/4885RAB9A 2891/4885ALDH1A1 175/4885

“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.