SCHEMBL976359

SCHEMBL976359

Cc1ccc(S(=O)(=O)N2CCc3oc(C(=O)O)cc3C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.49
CD4 P01730 8/20 0.46
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PKM P14618 2/20 0.44
HPGD P15428 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.43
OPRM1 P35372 2/20 0.43
OPRK1 P41145 2/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL976969 0.85 ALDH1A1 (0.50) CD4LMNAALDH1A1KMT2APKM
SCHEMBL978213 0.80 MAPT (0.50) LMNAMAPTUSP2ALDH1A1KMT2A
SCHEMBL17786050 0.76 AKR1C3 (0.73) AKR1C3OPRM1OPRK1
SCHEMBL975529 0.74 AKR1C3 (0.49) AKR1C3CD4MAPTALDH1A1KMT2A
SCHEMBL977178 0.74 AKR1C3 (0.49) AKR1C3CD4LMNASMN1; SMN2PKM
SCHEMBL4268544 0.73 CD4 (0.45) AKR1C3CD4ALDH1A1KMT2APKM
SCHEMBL2585688 0.73 CD4 (0.49) CD4ALDH1A1KMT2APKM
SCHEMBL14751054 0.72 AKR1C3 (0.65) AKR1C3CD4ALDH1A1KMT2ASMN1; SMN2
SCHEMBL13302259 0.71 KMT2A (0.77) AKR1C3LMNAMAPTUSP2ALDH1A1
SCHEMBL17786045 0.70 AKR1C3 (0.58) AKR1C3SMN1; SMN2OPRM1OPRK1GAA

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-8440830-B2 Tetrahydro-fused pyridines as histone deacetylase inhibitors 4SC AG (DE) 2013-05-14 US disclosed
EP-2197552-B1 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2012-11-21 EP disclosed
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 US disclosed
EP-2197552-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2010-06-23 EP disclosed
WO-2009037001-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-03-26 WO 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-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC3 AKR1C3 1779/4885CD4 2000/4885LMNA 3764/4885

“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.