SCHEMBL23517237

SCHEMBL23517237

CC(S)Cc1ccc2cc[nH]c2n1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.39
NUDT1 P36639 1/20 0.39
BRD4 O60885 1/20 0.35
CDK8 P49336 2/20 0.32
FGFR1 P11362 1/20 0.31
KDR P35968 1/20 0.31
APP P05067 1/20 0.31

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
SCHEMBL10130905 0.86 AXL (0.37) AXLNUDT1BRD4CDK8APP
SCHEMBL11886176 0.76 AXL (0.35) AXLNUDT1BRD4APP
SCHEMBL4167148 0.76 AXL (0.41) AXLNUDT1BRD4CDK8FGFR1
SCHEMBL11888031 0.73 AXL (0.38) AXLNUDT1BRD4FGFR1KDR
SCHEMBL28057850 0.72 LTB4R (0.35) AXLNUDT1BRD4
SCHEMBL6929283 0.72 CCR1 (0.50) AXLNUDT1BRD4CDK8APP
SCHEMBL6928507 0.72 CCR1 (0.50) AXLNUDT1BRD4CDK8APP
SCHEMBL31283256 0.72 AXL (0.41) AXLNUDT1BRD4CDK8APP
SCHEMBL5925823 0.71 AXL (0.37) AXLNUDT1BRD4APP
SCHEMBL18430380 0.71 AXL (0.37) AXLNUDT1BRD4APP

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-11286252-B2 Alkene spirocyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2022-03-29 US disclosed
US-20210179599-A1 ALKENE SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2021-06-17 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-11286252-B2 Alkene spirocyclic compounds as farnesoid X receptor modulators NR1H2, NR1H4, NR1H3 AXL 1076/4885NUDT1 2584/4885BRD4 3252/4885
US-20210179599-A1 ALKENE SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS NR1H2, NR1H4, NR1H3 AXL 1076/4885NUDT1 2584/4885BRD4 3252/4885

“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.