SCHEMBL22397166

SCHEMBL22397166

ON=Cc1cccnc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ FGF23 Q9GZV9 2/20 0.44
▸ LMNA P02545 3/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ HPGD P15428 3/20 0.36
▸ TSHR P16473 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ HTT P42858 2/20 0.33
▸ RIPK1 Q13546 1/20 0.33
▸ NFE2L2 Q16236 2/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 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
SCHEMBL22397164 1.00 ALDH1A1 (0.44) ALDH1A1FGF23LMNAALOX12HPGD
SCHEMBL22096810 0.82 ALOX12 (0.49) ALDH1A1FGF23LMNAALOX12HPGD
SCHEMBL9275525 0.82 ALDH1A1 (0.44) ALDH1A1FGF23LMNAALOX12HPGD
SCHEMBL12479704 0.77 HTT (0.33) ALDH1A1FGF23LMNAALOX12HSD17B10
SCHEMBL12479706 0.77 HTT (0.33) ALDH1A1FGF23LMNAALOX12HSD17B10
SCHEMBL23457260 0.76 NFE2L2 (0.35) LMNAHSD17B10HTTNFE2L2HDAC6
SCHEMBL31046315 0.76 ALDH1A1 (0.47) ALDH1A1FGF23LMNAALOX12HPGD
SCHEMBL2514186 0.76 TRIM24 (0.52) ALDH1A1LMNAHPGDTSHRHSD17B10
SCHEMBL30524918 0.76 TRIM24 (0.52) ALDH1A1LMNAHPGDTSHRHSD17B10
SCHEMBL28822506 0.76 NFE2L2 (0.35) ALDH1A1LMNAHSD17B10HTTNFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20210179599-A1 ALKENE SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2021-06-17 — — US disclosed
CN-112424196-A Novel isoxazolyl ether derivatives as GABAA alpha 5 PAM 豪夫迈·罗氏有限公司 2021-02-26 — — CN 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 ALDH1A1 1437/4885FGF23 49/4885LMNA 3082/4885
US-20210179599-A1 ALKENE SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS NR1H2, NR1H4, NR1H3 ALDH1A1 1437/4885FGF23 49/4885LMNA 3082/4885

“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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