SCHEMBL22397151

SCHEMBL22397151

COC(=O)c1cc(Cl)c2cc(OCc3ccccc3)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.49
IP6K1 Q92551 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HSP90AA1 P07900 1/20 0.48
NOTUM Q6P988 1/20 0.47
PLA2G2A P14555 2/20 0.47
ALDH1A1 P00352 1/20 0.47
NMT1 P30419 5/20 0.46
NMT2 O60551 1/20 0.46
HDAC3 O15379 1/20 0.46
APP P05067 1/20 0.46
ACHE P22303 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46

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
SCHEMBL20944487 0.89 MEN1 (0.60) IP6K1MEN1KMT2AHSP90AA1ALDH1A1
SCHEMBL2911168 0.87 MAOB (0.51) MMP13IP6K1MEN1KMT2AHSP90AA1
SCHEMBL20944283 0.84 MMP13 (0.48) MMP13IP6K1MEN1KMT2AHSP90AA1
SCHEMBL20944303 0.84 ALOX5 (0.46) MMP13IP6K1MEN1KMT2AHSP90AA1
SCHEMBL20943942 0.83 MEN1 (0.48) MMP13IP6K1MEN1KMT2AHSP90AA1
SCHEMBL20943934 0.83 NOTUM (0.45) MMP13MEN1KMT2ANOTUMALDH1A1
SCHEMBL21865487 0.82 MEN1 (0.57) MEN1KMT2AHSP90AA1ALDH1A1NPC1
SCHEMBL2907530 0.81 MAOB (0.50) MMP13IP6K1MEN1KMT2AHSP90AA1
SCHEMBL31581213 0.81 CYP3A4 (0.56) MEN1KMT2AHSP90AA1NPC1RAB9A
SCHEMBL3534571 0.80 LMNA (0.55) MEN1KMT2ANOTUMALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111630051-B Olefin spiro compounds as farnesol X receptor modulators 百时美施贵宝公司 2023-12-26 CN disclosed
EP-3704112-B1 ALKENE SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-09-27 EP disclosed
EP-3704112-B1 ALKENE SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-09-27 EP disclosed
US-11286252-B2 Alkene spirocyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2022-03-29 US disclosed
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
US-20210179599-A1 ALKENE SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2021-06-17 US disclosed
EP-3704112-A1 ALKENE SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2020-09-09 EP disclosed
CN-111630051-A Spirocyclic compounds of alkenes as farnesoid X receptor modulators 百时美施贵宝公司 2020-09-04 CN 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 MMP13 2725/4885IP6K1 2119/4885MEN1 2435/4885
US-20210179599-A1 ALKENE SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS NR1H2, NR1H4, NR1H3 MMP13 2725/4885IP6K1 2119/4885MEN1 2435/4885

“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.