SCHEMBL14302071

SCHEMBL14302071

C=C[C@@H]1C[C@]1(CC)C(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ CCKBR P32239 1/20 0.41
▸ BCL2 P10415 1/20 0.41
▸ BCL2L1 Q07817 1/20 0.41
▸ HPGD P15428 2/20 0.35
▸ MAOA P21397 1/20 0.35
▸ HDAC1 Q13547 3/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ HDAC3 O15379 2/20 0.35
▸ LOX P28300 1/20 0.35
▸ MAPK9 P45984 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ P2RX7 Q99572 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL14278025 0.87 MEN1 (0.45) MEN1KMT2ACCKBRBCL2BCL2L1
SCHEMBL14364361 0.85 MEN1 (0.43) MEN1KMT2ACCKBRBCL2BCL2L1
SCHEMBL7451657 0.76 MEN1 (0.51) MEN1KMT2ACCKBRBCL2BCL2L1
SCHEMBL14302082 0.71 METAP2 (0.34) ALDH1A1TSHRLMNA
SCHEMBL14302277 0.71 STS (0.41) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL13881587 0.71 MEN1 (0.54) MEN1KMT2ACCKBRBCL2BCL2L1
SCHEMBL14302279 0.70 HTR6 (0.35) P2RX7
SCHEMBL14519924 0.70 MEN1 (0.52) MEN1KMT2ACCKBRBCL2BCL2L1
SCHEMBL7460244 0.70 CCKBR (0.50) MEN1KMT2ACCKBRBCL2BCL2L1
SCHEMBL8033818 0.69 HPGD (0.54) MEN1KMT2ACCKBRBCL2BCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 — — 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 (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-20080045530-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 MEN1 2302/4885KMT2A 3407/4885CCKBR 3595/4885

“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.

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