SCHEMBL2413792

SCHEMBL2413792

CC(C)(Sc1nc(CC(=O)Nc2ccc(-c3ccc(F)cc3)cc2)cs1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 3/20 0.48
▸ LMNA P02545 3/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ GAA P10253 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL2412445 0.97 SMN1; SMN2 (0.48) CTPS1LMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL2416071 0.90 LMNA (0.60) CTPS1LMNAHTTSMN1; SMN2GAA
SCHEMBL2413442 0.90 CTPS1 (0.48) CTPS1LMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL2409605 0.87 MEN1 (0.57) CTPS1LMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL12275540 0.84 SMN1; SMN2 (0.46) CTPS1LMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL12273727 0.84 ALDH1A1 (0.43) LMNASMN1; SMN2ALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL2411535 0.83 ALDH1A1 (0.43) LMNASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL2412843 0.81 NPC1 (0.41) LMNASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL2415598 0.80 POLB (0.51) LMNAHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL2419252 0.80 NPC1 (0.43) LMNASMN1; SMN2ALDH1A1NPC1RAB9A

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 5 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 claimed
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
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 CTPS1 359/4885LMNA 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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