SCHEMBL4977808

SCHEMBL4977808

CS(=O)(=O)c1ccc(S(=O)(=O)CCC2(O)CCN(C(=O)O)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.39
S1PR2 O95136 3/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.36
POLB P06746 2/20 0.36
RAB9A P51151 2/20 0.36
AKR1C3 P42330 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GPR119 Q8TDV5 3/20 0.35
PKLR P30613 1/20 0.35
NPC1 O15118 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
SCHEMBL4978743 0.87 LMNA (0.38) KMT2AMEN1LMNAHTTPOLB
SCHEMBL5503955 0.86 LMNA (0.38) KMT2AMEN1LMNAHTTPOLB
SCHEMBL4978176 0.83 GPR119 (0.54) GPR119
SCHEMBL27694579 0.81 MAOB (0.36) KMT2AALDH1A1L3MBTL1S1PR2LMNA
SCHEMBL14284044 0.80 HTT (0.40) KMT2AALDH1A1MEN1HTT
SCHEMBL27694580 0.80 S1PR2 (0.35) KMT2AALDH1A1L3MBTL1S1PR2LMNA
SCHEMBL4974262 0.78 ENPP2 (0.37) KMT2AALDH1A1MEN1LMNAHTT
SCHEMBL17262478 0.71 EPHX2 (0.43) ALDH1A1LMNAHTTRAB9ASMN1; SMN2
SCHEMBL4975111 0.71 GPR119 (0.54) GPR119
SCHEMBL4978397 0.70 GPR119 (0.53) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080021038-A1 Novel Piperidine/8-Azabicyclo [3.2.1.] Octan Derivatives As Modulators Of Chemokine Receptor Ccr5 TUCKER HOWARD 2008-01-24 US disclosed
EP-1761491-A1 NOVEL PIPERIDINE/8-AZABICYCLO [3.2.1] OCTAN DERIVATIVES AS MODUILATORS OF CHEMOKINE RECEPTOR CCR5 AstraZeneca AB (SE) 2007-03-14 EP disclosed
WO-2006001752-A1 NOVEL PIPERIDINE/8-AZABICYCLO [3.2.1] OCTAN DERIVATIVES AS MODUILATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2006-01-05 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-20080021038-A1 Novel Piperidine/8-Azabicyclo [3.2.1.] Octan Derivatives As Modulators Of Chemokine Receptor Ccr5 CCR5, CXCR1, CCR2 KMT2A 3512/4885ALDH1A1 939/4885L3MBTL1 4114/4885

“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.