SCHEMBL2210099

SCHEMBL2210099

CC(=O)c1sc(SCCCC(=O)O)nc1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.44
RXFP1 Q9HBX9 3/20 0.44
APEX1 P27695 1/20 0.44
HSD17B10 Q99714 3/20 0.43
SMN1; SMN2 Q16637 4/20 0.40
HPGD P15428 2/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
RAB9A P51151 2/20 0.39
MAPT P10636 4/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL9749375 0.89 ALDH1A1 (0.45) ALDH1A1APEX1HSD17B10SMN1; SMN2HPGD
SCHEMBL9749606 0.85 ALDH1A1 (0.44) ALDH1A1APEX1HSD17B10SMN1; SMN2HPGD
SCHEMBL8668228 0.84 ALDH1A1 (0.44) ALDH1A1RXFP1APEX1HSD17B10SMN1; SMN2
SCHEMBL2213342 0.83 ALDH1A1 (0.52) ALDH1A1RXFP1HSD17B10SMN1; SMN2HPGD
SCHEMBL10968557 0.83 APEX1 (0.47) ALDH1A1APEX1HSD17B10SMN1; SMN2HPGD
SCHEMBL9749534 0.81 APEX1 (0.54) ALDH1A1RXFP1APEX1HSD17B10SMN1; SMN2
Tiprotimod SCHEMBL1684013 0.79 APEX1 (0.44) ALDH1A1APEX1HSD17B10SMN1; SMN2HPGD
SCHEMBL9749776 0.79 APEX1 (0.44) ALDH1A1APEX1HSD17B10SMN1; SMN2HPGD
SCHEMBL10690778 0.75 APEX1 (0.42) ALDH1A1APEX1HSD17B10SMN1; SMN2HPGD
SCHEMBL16907286 0.75 RXFP1 (0.46) ALDH1A1RXFP1HSD17B10SMN1; SMN2HPGD

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
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
EP-0137426-A2 2-Mercaptothiazole derivatives, process for their preparation and utilization of 2-mercaptothiazole derivatives in pharmaceutical compounds BAYER AG (DE) 1985-04-17 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 521/4885RXFP1 1334/4885APEX1 1835/4885

“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.