SCHEMBL23988563

SCHEMBL23988563

O=S(=O)(O)CCCOCC(O)CNCCS(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ADRB2 P07550 3/20 0.32
HTR1A P08908 1/20 0.32
USP2 O75604 1/20 0.31
CASR P41180 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
APP P05067 1/20 0.31
ADRB1 P08588 2/20 0.30
ADRB3 P13945 2/20 0.30
HTT P42858 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
SCHEMBL19660808 0.94 KDM4E (0.38) KDM4EADRB2HTR1AUSP2CASR
SCHEMBL19198573 0.91 KDM4E (0.36) KDM4EADRB2HTR1A
SCHEMBL23837976 0.91 APP (0.40) KDM4EADRB2HTR1ACYP1A2CYP3A4
SCHEMBL21982182 0.89 KDM4E (0.42) KDM4EADRB2USP2CASRCYP1A2
SCHEMBL23988566 0.88 KDM4E (0.34) KDM4EADRB2HTR1ACYP1A2ADRB1
SCHEMBL18545280 0.88 APP (0.38) KDM4EADRB2HTR1ACYP1A2CYP3A4
SCHEMBL23988525 0.87 KDM4E (0.38) KDM4EADRB2HTR1AUSP2CYP1A2
SCHEMBL23988529 0.87 CYP1A2 (0.34) KDM4EADRB2HTR1ACYP1A2CYP3A4
SCHEMBL23988562 0.87 ADRB2 (0.36) KDM4EADRB2HTR1A
SCHEMBL23988428 0.87 LPAR5 (0.35) KDM4EADRB2HTR1AADRB1

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-20210340404-A1 SILANOL COMPOSITIONS AND METHODS OF USE 3M INNOVATIVE PROPERTIES COMPANY 2021-11-04 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-20210340404-A1 SILANOL COMPOSITIONS AND METHODS OF USE EPCAM, ITGA8, CD99 KDM4E 985/4885ADRB2 3522/4885HTR1A 2881/4885

“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.