SCHEMBL2213342

SCHEMBL2213342

CC(=O)c1sc(SCC(=O)O)nc1C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
HSD17B10 Q99714 1/20 0.52
GAA P10253 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HPGD P15428 2/20 0.46
RAB9A P51151 3/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.43
RXFP1 Q9HBX9 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
NOTUM Q6P988 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL9748472 0.88 ALDH1A1 (0.54) ALDH1A1HSD17B10GAAL3MBTL1HPGD
SCHEMBL2210099 0.83 ALDH1A1 (0.44) ALDH1A1HSD17B10GAAL3MBTL1HPGD
SCHEMBL13277864 0.81 GAA (0.56) ALDH1A1HSD17B10GAAL3MBTL1HPGD
SCHEMBL8668228 0.79 ALDH1A1 (0.44) ALDH1A1HSD17B10GAAL3MBTL1HPGD
SCHEMBL16907286 0.78 RXFP1 (0.46) ALDH1A1HSD17B10GAAL3MBTL1HPGD
SCHEMBL6113785 0.77 LMNA (0.46) ALDH1A1HSD17B10GAAL3MBTL1HPGD
SCHEMBL9749252 0.77 GAA (0.51) ALDH1A1HSD17B10GAAL3MBTL1HPGD
SCHEMBL9748757 0.74 GAA (0.49) ALDH1A1HSD17B10GAAL3MBTL1HPGD
SCHEMBL9749534 0.72 APEX1 (0.54) ALDH1A1HSD17B10GAAHPGDRAB9A
SCHEMBL9749375 0.71 ALDH1A1 (0.45) ALDH1A1HSD17B10GAAL3MBTL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1389616-B1 3,4-Dihalobenzylpiperidine derivatives and their medical use MITSUBISHI TANABE PHARMA CORP (JP) 2011-07-27 EP disclosed
US-7115635-B2 Benzylpiperidine compound MITSUBISHI PHARMA CORPORATION (JP) 2006-10-03 US disclosed
US-20040158071-A1 Chemokine inhibitors and stability in blood MITSUBISHI PHARMA CORPORATION (JP) 2004-08-12 US disclosed
EP-1389616-A1 NOVEL BENZYLPIPERIDINE COMPOUND Mitsubishi Pharma Corporation (JP) 2004-02-18 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-20040158071-A1 Chemokine inhibitors and stability in blood CCL2, CXCR1, CCR5 ALDH1A1 521/4885HSD17B10 2037/4885GAA 3114/4885

“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.