SCHEMBL24259546

SCHEMBL24259546

COC(=O)c1ccc(C2(O)CCC(COSI)(COSI)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSP90AA1 P07900 1/20 0.39
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GRIN2B Q13224 2/20 0.36
POLB P06746 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL17869073 0.82 CA1 (0.53) MAPTSMN1; SMN2ALDH1A1HSP90AA1CA1
SCHEMBL25992742 0.81 MAPT (0.44) MAPTSMN1; SMN2ALDH1A1HSP90AA1CA1
SCHEMBL25330988 0.78 PKM (0.47) MAPTSMN1; SMN2ALDH1A1HSP90AA1CA1
SCHEMBL22354059 0.77 KMT2A (0.32) KMT2A
SCHEMBL28670569 0.76 CA1 (0.50) MAPTSMN1; SMN2ALDH1A1HSP90AA1CA1
SCHEMBL20944535 0.75 TDP1 (0.46) MAPTALDH1A1CA1CA2TDP1
SCHEMBL25331702 0.72 ALDH1A1 (0.51) MAPTSMN1; SMN2ALDH1A1HSP90AA1CA1
SCHEMBL612696 0.72 MAPT (0.46) MAPTSMN1; SMN2ALDH1A1HSP90AA1CA1
SCHEMBL613744 0.71 ALDH1A1 (0.44) MAPTSMN1; SMN2ALDH1A1HSP90AA1CA1
SCHEMBL24076449 0.68 CA1 (0.52) MAPTSMN1; SMN2ALDH1A1CA1CA2

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 3 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-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 (3 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 MAPT 398/4885SMN1; SMN2 4733/4885ALDH1A1 2862/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 MAPT 398/4885SMN1; SMN2 4733/4885ALDH1A1 2862/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 MAPT 398/4885SMN1; SMN2 4733/4885ALDH1A1 2862/4885

“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.