SCHEMBL22397168

SCHEMBL22397168

CCOC(=O)c1cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2nn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.40
▸ UCHL1 P09936 1/20 0.39
▸ HIF1A Q16665 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ LIPG Q9Y5X9 5/20 0.35
▸ LPL P06858 4/20 0.35
▸ DGAT1 O75907 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PRMT5 O14744 1/20 0.34
▸ WDR77 Q9BQA1 1/20 0.34
▸ IDO1 P14902 1/20 0.33
▸ TDO2 P48775 1/20 0.33

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
SCHEMBL31423024 0.79 KDM4E (0.41) UCHL1HIF1AALDH1A1DGAT1KDM4E
SCHEMBL17206222 0.77 UCHL1 (0.39) UCHL1HIF1ALIPGLPLDGAT1
SCHEMBL16065191 0.77 UCHL1 (0.42) CYP1A2UCHL1HIF1AALDH1A1SMN1; SMN2
SCHEMBL13905447 0.76 CA12 (0.49) CYP1A2ALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL30688572 0.76 CA12 (0.49) CYP1A2ALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL16611149 0.75 DGAT1 (0.49) CYP1A2UCHL1HIF1AALDH1A1SMN1; SMN2
SCHEMBL1504538 0.75 ALOX15 (0.50) CYP1A2KDM4EMAPT
SCHEMBL17205991 0.74 KDM4E (0.44) UCHL1HIF1AALDH1A1LIPGLPL
SCHEMBL20618039 0.74 KDM4E (0.40) UCHL1HIF1ASMN1; SMN2LIPGLPL
SCHEMBL20602523 0.74 LPL (0.43) LIPGLPLIRAK4IDO1TDO2

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 CYP1A2 488/4885UCHL1 4825/4885HIF1A 3793/4885
US-20210179599-A1 ALKENE SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS NR1H2, NR1H4, NR1H3 CYP1A2 488/4885UCHL1 4825/4885HIF1A 3793/4885

“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.

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