SCHEMBL24258885

SCHEMBL24258885

CC(C)(C)c1noc(CCCCC=O)n1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
TSHR P16473 1/20 0.31
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
TP53 P04637 1/20 0.30
RAB9A P51151 1/20 0.30
KLF5 Q13887 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL24258699 0.78 MAPT (0.39) TSHRHDAC2HDAC8SMN1; SMN2
SCHEMBL23222124 0.78 PPARA (0.38) CNR1CNR2TSHRTP53RAB9A
SCHEMBL24259026 0.77 SIRT2 (0.39) CNR1CNR2HDAC2HDAC8TP53
SCHEMBL16544514 0.73 SMN1; SMN2 (0.41) TSHRTP53RAB9AKLF5SMN1; SMN2
SCHEMBL18997069 0.73 PIK3CG (0.34) TSHRTP53RAB9AKLF5SMN1; SMN2
SCHEMBL22352584 0.73 HDAC1 (0.41) TSHRHDAC2HDAC8TP53SMN1; SMN2
SCHEMBL24258725 0.71 TSHR (0.31) TSHR
Hydrochloric Acid SCHEMBL3712081 0.70 PIK3CG (0.36) TP53RAB9AKLF5SMN1; SMN2
SCHEMBL24258740 0.70 L3MBTL1 (0.39) HDAC8
SCHEMBL21169150 0.69 SORT1 (0.36) TP53RAB9AKLF5SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-01 US disclosed
US-20220162201-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-26 US disclosed
US-20220135550-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-05 US disclosed
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2022-02-22 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 (4 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-20220135550-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 CNR1 325/4885CNR2 631/4885TSHR 798/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 CNR1 325/4885CNR2 631/4885TSHR 798/4885
US-20220162201-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 CNR1 184/4885CNR2 312/4885TSHR 567/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 CNR1 325/4885CNR2 631/4885TSHR 798/4885

“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.