SCHEMBL2412445

SCHEMBL2412445

CC(C)(Sc1nc(CC(=O)Nc2ccc(F)cc2)cs1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ LMNA P02545 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ MAPT P10636 3/20 0.46
▸ GAA P10253 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ CTPS1 P17812 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ANO1 Q5XXA6 1/20 0.42

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
SCHEMBL2413792 0.97 CTPS1 (0.48) SMN1; SMN2LMNAHTTMAPTGAA
SCHEMBL2409605 0.90 MEN1 (0.57) SMN1; SMN2LMNAHTTMAPTGAA
SCHEMBL12275540 0.87 SMN1; SMN2 (0.46) SMN1; SMN2LMNAHTTMAPTGAA
SCHEMBL2416071 0.86 LMNA (0.60) SMN1; SMN2LMNAHTTMAPTGAA
SCHEMBL2413442 0.86 CTPS1 (0.48) SMN1; SMN2LMNAHTTMAPTGAA
SCHEMBL2412843 0.83 NPC1 (0.41) SMN1; SMN2LMNAMAPTTP53NPC1
SCHEMBL2415598 0.83 POLB (0.51) SMN1; SMN2LMNAHTTMAPTTP53
SCHEMBL12273727 0.81 ALDH1A1 (0.43) SMN1; SMN2LMNAMAPTTP53NPC1
Hydrochloric Acid SCHEMBL2411535 0.80 ALDH1A1 (0.43) SMN1; SMN2LMNAMAPTTP53NPC1
SCHEMBL5561572 0.79 MAPT (0.54) SMN1; SMN2MAPTGAAMEN1KMT2A

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 3 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-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

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 SMN1; SMN2 4773/4885LMNA 3376/4885HTT 3347/4885

“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.

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