SCHEMBL2212818

SCHEMBL2212818

CC(=O)c1ccc([S+]([O-])CCCC(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.54
KMT2A Q03164 3/20 0.39
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38
PDE4B Q07343 1/20 0.37
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.35
HPGD P15428 3/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35

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
SCHEMBL11374320 0.81 CYP1A1 (0.40) LMNAMAPTSMN1; SMN2MAPK1RAB9A
SCHEMBL6688879 0.76 HDAC3 (0.47) LMNAL3MBTL1MAPTSMN1; SMN2MAPK1
SCHEMBL11368813 0.75 HDAC3 (0.50) LMNAL3MBTL1MAPTSMN1; SMN2MAPK1
SCHEMBL8407975 0.74 ITGB3 (0.43)
SCHEMBL14918867 0.73 ALDH1A1 (0.48) KMT2AMAPTSMN1; SMN2MEN1RAB9A
SCHEMBL11375556 0.73 KMT2A (0.47) HSD17B10KMT2AL3MBTL1SMN1; SMN2GAA
Hydroxyamine SCHEMBL7655304 0.72 PDE4B (0.49) L3MBTL1PDE4BRAB9AHDAC3HDAC4
SCHEMBL1576901 0.70 MAPK1 (0.48) KMT2ALMNAL3MBTL1MAPTSMN1; SMN2
SCHEMBL82223 0.70 HSD17B10 (1.00) HSD17B10KMT2ALMNAL3MBTL1MAPT
SCHEMBL11403476 0.70 CYP1A1 (0.42) L3MBTL1GAARAB9AALDH1A1HDAC2

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 6 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
CN-100384838-C Novel benzylpiperidine compound MITSUBISHI PHARMA CORP (JP) 2008-04-30 CN 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
CN-1505626-A Novel benzylpiperidine compound ������ҩ��ʽ���� 2004-06-16 CN 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 HSD17B10 2037/4885KMT2A 3818/4885LMNA 4837/4885

“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.