SCHEMBL25992127

SCHEMBL25992127

CC12CCC(NC(=O)OC(C)(C)C)(CC1)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
DGAT1 O75907 1/20 0.36
GAA P10253 1/20 0.36
CTSL P07711 1/20 0.35
APLNR P35414 1/20 0.34
DPP8 Q6V1X1 2/20 0.33
DPP9 Q86TI2 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HCRTR2 O43614 1/20 0.33
EPHX2 P34913 1/20 0.33
BTK Q06187 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CACNA1H O95180 1/20 0.32

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
SCHEMBL15979032 0.89 MEN1 (0.40) MEN1MAPK1KMT2ADGAT1GAA
SCHEMBL24031854 0.85 MEN1 (0.41) MEN1MAPK1KMT2ADGAT1GAA
SCHEMBL20575845 0.83 MEN1 (0.41) MEN1MAPK1KMT2ADGAT1GAA
SCHEMBL31075527 0.83 MEN1 (0.41) MEN1MAPK1KMT2ADGAT1GAA
SCHEMBL14657570 0.82 MEN1 (0.42) MEN1MAPK1KMT2ADGAT1GAA
SCHEMBL15979030 0.81 MEN1 (0.40) MEN1MAPK1KMT2ADGAT1GAA
SCHEMBL30562194 0.81 MEN1 (0.40) MEN1MAPK1KMT2ADGAT1GAA
SCHEMBL1536186 0.81 MEN1 (0.40) MEN1MAPK1KMT2ADGAT1GAA
Hydrochloric Acid SCHEMBL30216284 0.81 MEN1 (0.40) MEN1MAPK1KMT2ADGAT1GAA
SCHEMBL1933747 0.80 MEN1 (0.39) MEN1MAPK1KMT2ADGAT1CTSL

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-12030835-B2 Substituted amide compounds useful as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-09 US disclosed
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-01 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-12030835-B2 Substituted amide compounds useful as farnesoid X receptor modulators FXR1, NR1H4, FXR2 MEN1 2637/4885MAPK1 1638/4885KMT2A 3074/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 MEN1 3478/4885MAPK1 927/4885KMT2A 4497/4885

“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.