SCHEMBL20952255

SCHEMBL20952255

COC(=O)c1cc(OC(C)C)c2cc(Br)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
GAA P10253 3/20 0.44
MAPT P10636 2/20 0.44
CYP1A2 P05177 1/20 0.44
RECQL P46063 1/20 0.44
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.40
MCL1 Q07820 1/20 0.40
KDM4E B2RXH2 1/20 0.40
DHODH Q02127 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39

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
SCHEMBL20944475 0.89 L3MBTL1 (0.50) L3MBTL1ALDH1A1SMN1; SMN2TSHRHTT
SCHEMBL17205286 0.87 L3MBTL1 (0.59) L3MBTL1ALDH1A1SMN1; SMN2TSHRHTT
SCHEMBL28404446 0.86 ALDH1A1 (0.68) L3MBTL1ALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL20952122 0.82 ALDH1A1 (0.58) L3MBTL1ALDH1A1SMN1; SMN2TSHRHTT
SCHEMBL22392846 0.81 ALDH1A1 (0.51) L3MBTL1ALDH1A1SMN1; SMN2TSHRHTT
SCHEMBL30421150 0.81 ALDH1A1 (0.51) L3MBTL1ALDH1A1SMN1; SMN2TSHRHTT
SCHEMBL30421433 0.81 ALDH1A1 (0.48) L3MBTL1ALDH1A1SMN1; SMN2TSHRHTT
SCHEMBL22392887 0.81 ALDH1A1 (0.48) L3MBTL1ALDH1A1SMN1; SMN2TSHRHTT
SCHEMBL22392686 0.80 ALDH1A1 (0.50) L3MBTL1ALDH1A1SMN1; SMN2TSHRHTT
SCHEMBL20951931 0.80 ALDH1A1 (0.50) L3MBTL1ALDH1A1SMN1; SMN2TSHRHTT

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
EP-3704114-B1 SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-11-23 EP disclosed
US-11078198-B2 Spirocyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-03 US disclosed
EP-3704114-A1 SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2020-09-09 EP disclosed
US-20190127362-A1 SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2019-05-02 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-20190127362-A1 SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS NR1H4, FXR1, NR1H2 L3MBTL1 4036/4885ALDH1A1 2649/4885SMN1; SMN2 4433/4885
US-11078198-B2 Spirocyclic compounds as farnesoid X receptor modulators NR1H4, FXR1, NR1H2 L3MBTL1 4036/4885ALDH1A1 2649/4885SMN1; SMN2 4433/4885

“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.