SCHEMBL22907647

SCHEMBL22907647

CO[C@@H](CCn1cnc2c(=O)[nH]c(NC(=O)C(C)C)nc21)COS(N)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HPRT1 P00492 2/20 0.38
▸ TK1 P04183 1/20 0.37
▸ PDE3A Q14432 1/20 0.37

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
SCHEMBL23487511 0.86 MEN1 (0.46) MEN1TSHRKMT2AKDM4ETK1
SCHEMBL20833449 0.79 KDM4E (0.39) MEN1TSHRKMT2AKDM4EHPRT1
SCHEMBL20833441 0.79 KDM4E (0.39) MEN1TSHRKMT2AKDM4EHPRT1
SCHEMBL25584347 0.78 KDM4E (0.49) MEN1TSHRKMT2AKDM4EHPRT1
SCHEMBL25781533 0.76 TK1 (0.58) MEN1TSHRKMT2AKDM4ETK1
SCHEMBL22571148 0.76 MEN1 (0.52) MEN1TSHRKMT2AKDM4ETK1
SCHEMBL22399456 0.75 MEN1 (0.44) MEN1TSHRKMT2AKDM4ETK1
SCHEMBL29832453 0.75 TK1 (0.49) MEN1TSHRKMT2AKDM4ETK1
SCHEMBL3457921 0.74 MEN1 (0.50) MEN1TSHRKMT2AKDM4ETK1
SCHEMBL16310639 0.74 MEN1 (0.42) MEN1TSHRKMT2AKDM4EHPRT1

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-20210015915-A1 STING MODULATOR COMPOUNDS WITH SULFAMATE LINKAGES, AND METHODS OF MAKING AND USING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-01-21 — — 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-20210015915-A1 STING MODULATOR COMPOUNDS WITH SULFAMATE LINKAGES, AND METHODS OF MAKING AND USING STING1, CGAS, TBK1 MEN1 1520/4885TSHR 3670/4885KMT2A 3236/4885

“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.

Send feedback