SCHEMBL22397138

SCHEMBL22397138

CCOC(=O)c1[nH]nc(O[Si](C)(C)C(C)(C)C)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.40
MAPT P10636 1/20 0.40
PDE4D Q08499 1/20 0.40
HPGD P15428 3/20 0.39
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.37
AURKA O14965 1/20 0.37
MAPK10 P53779 1/20 0.37
RIPK1 Q13546 1/20 0.37
DUSP3 P51452 1/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 2/20 0.36
RECQL P46063 1/20 0.36
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL22397177 0.85 KDM4C (0.41) HSD17B10MAPTALDH1A1MAPK1POLB
SCHEMBL3263632 0.79 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19HSD17B10MAPT
SCHEMBL24757293 0.75 KDM4E (0.49) CYP1A2CYP2C9CYP2C19HSD17B10MAPT
SCHEMBL30964220 0.73 MAPT (0.49) CYP1A2CYP2C9CYP2C19HSD17B10MAPT
SCHEMBL27140315 0.73 PDE4D (0.59) CYP1A2CYP2C9CYP2C19HSD17B10MAPT
SCHEMBL10860621 0.72 KDM4E (0.51) CYP1A2CYP2C9CYP2C19HSD17B10MAPT
SCHEMBL24906442 0.72 PDE4D (0.53) CYP1A2CYP2C9CYP2C19HSD17B10MAPT
SCHEMBL16270147 0.70 KMT2A (0.49) HSD17B10MAPTPDE4DHPGDHTT
SCHEMBL5561961 0.70 KMT2A (0.48) CYP1A2MAPTPDE4DSMN1; SMN2ALDH1A1
SCHEMBL28802616 0.70 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19HSD17B10MAPT

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 8 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
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 CYP1A2 488/4885CYP2C9 773/4885CYP2C19 973/4885
US-20210179599-A1 ALKENE SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS NR1H2, NR1H4, NR1H3 CYP1A2 488/4885CYP2C9 773/4885CYP2C19 973/4885

“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.