SCHEMBL4900736

SCHEMBL4900736

CCN(c1coc(C2CCCCC2)n1)S(=O)(=O)c1ccc(C)c(C(=O)OC)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
ALDH1A1 P00352 3/20 0.39
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 2/20 0.37
YAP1 P46937 1/20 0.37
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
RORC P51449 1/20 0.34
THRB P10828 1/20 0.34
GAA P10253 1/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL4903014 0.90 LMNA (0.40) TSHRALDH1A1TDP1SMN1; SMN2HTT
SCHEMBL4900726 0.78 KMT2A (0.44) TSHRALDH1A1ATMTDP1SMN1; SMN2
SCHEMBL4900715 0.76 ALDH1A1 (0.39) TSHRALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL4906847 0.76 ALDH1A1 (0.38) TSHRALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL4902470 0.72 TP53 (0.43) TSHRALDH1A1ATMSMN1; SMN2KMT2A
SCHEMBL4907398 0.72 ALDH1A1 (0.42) TSHRALDH1A1ATMTDP1SMN1; SMN2
SCHEMBL4904147 0.71 ALDH1A1 (0.45) TSHRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4902584 0.71 MAPT (0.43) TSHRALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL4902733 0.70 ESR1 (0.60) TSHRALDH1A1ATMTDP1SMN1; SMN2
SCHEMBL4908323 0.70 NR1I2 (0.40) TSHRALDH1A1SMN1; SMN2KMT2AKDM4E

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-20060229363-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds HAMANAKA ERNEST S 2006-10-12 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-20060229363-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds PPARA, PPARG, PPARD TSHR 412/4885ALDH1A1 2664/4885ATM 1568/4885
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PPARA, PPARG, PPARD TSHR 400/4885ALDH1A1 2956/4885ATM 1692/4885

“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.