SCHEMBL22374683

SCHEMBL22374683

CSC(=O)COCCOCCOCCCCNC(C)S

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
EPHX2 P34913 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CES2 O00748 1/20 0.31
CYP2C19 P33261 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL20372471 0.83 MEN1 (0.34) MEN1KMT2AEPHX2KDM4EALDH1A1
SCHEMBL20330475 0.83 GAA (0.32) MEN1KMT2ATSHR
SCHEMBL20330477 0.83 KDM4E (0.36) MEN1KMT2AKDM4EALDH1A1CYP2C19
SCHEMBL21026059 0.83 KDM4E (0.39) MEN1KMT2AEPHX2KDM4EALDH1A1
SCHEMBL21341624 0.79 CYP2C19 (0.36) MEN1KMT2AEPHX2KDM4ECES2
SCHEMBL20234681 0.79 CES2 (0.34) MEN1KMT2AEPHX2KDM4ECES2
SCHEMBL21025933 0.78 MEN1 (0.35) MEN1KMT2ACES2TSHR
SCHEMBL20325879 0.78 MEN1 (0.35) MEN1KMT2ACES2TSHR
SCHEMBL20133378 0.78 CES2 (0.37) EPHX2KDM4EALDH1A1CES2CYP2C19
SCHEMBL25122859 0.78 KDM4E (0.43) MEN1KMT2AKDM4EALDH1A1CYP2C19

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-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same YALE UNIVERSITY 2020-08-27 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-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same PPP5C, PPP4C, DUSP26 MEN1 2838/4885KMT2A 3392/4885EPHX2 3787/4885

“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.