SCHEMBL4906457

SCHEMBL4906457

CCN(c1ccc(Oc2ccc(C)c(C)c2)cc1)S(=O)(=O)c1cc(C)c(C)c(C(=O)OC)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.41
ESR1 P03372 2/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BCL2L1 Q07817 4/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
THRB P10828 1/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
NR3C1 P04150 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
SCHEMBL5930763 0.92 MCL1 (0.41) MCL1ESR1LMNAMAPTBCL2L1
SCHEMBL4908351 0.91 LMNA (0.45) MCL1ESR1ALDH1A1TSHRLMNA
SCHEMBL4903956 0.91 ESR1 (0.48) MCL1ESR1ALDH1A1LMNAMAPT
SCHEMBL4898047 0.90 MAPT (0.47) ESR1ALDH1A1TSHRLMNAMAPT
SCHEMBL4904286 0.90 MAPT (0.45) MCL1ESR1ALDH1A1TSHRLMNA
SCHEMBL4900633 0.90 LMNA (0.47) MCL1ESR1ALDH1A1LMNABCL2L1
SCHEMBL4902668 0.90 ALDH1A1 (0.46) MCL1ESR1ALDH1A1TSHRLMNA
SCHEMBL4906191 0.89 MMP9 (0.41) MCL1ESR1ALDH1A1TSHRLMNA
SCHEMBL4904184 0.88 HCRTR2 (0.50) ESR1ALDH1A1LMNAMAPTNPSR1
SCHEMBL4906417 0.87 HDAC8 (0.52) MAPTNPSR1HDAC8MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER INC. 2008-04-17 US disclosed
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER INC 2005-12-29 US 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 (2 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-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PPARA, PPARG, PPARD MCL1 4319/4885ESR1 585/4885ALDH1A1 2956/4885
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PPARA, PPARG, PPARD MCL1 4319/4885ESR1 585/4885ALDH1A1 2956/4885

“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.