SCHEMBL710044

SCHEMBL710044

O=C(O)C1CC(O)(C(F)(F)F)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.50
APLNR P35414 1/20 0.46
CYP1A2 P05177 2/20 0.43
ALOX15 P16050 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GRM2 Q14416 2/20 0.33
GRM3 Q14832 2/20 0.33
GRM4 Q14833 2/20 0.33
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRM8 O00222 1/20 0.33
GRM6 O15303 1/20 0.33
LMNA P02545 1/20 0.33
GRM5 P41594 1/20 0.33
MTOR P42345 1/20 0.33
GRM1 Q13255 1/20 0.33
PLCB1 Q9NQ66 1/20 0.33
OAT P04181 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL26631347 1.00 CYP2C19 (0.50) CYP2C19APLNRCYP1A2ALOX15KDM4E
SCHEMBL15684228 0.83 CYP2C19 (0.46) CYP2C19APLNRCYP1A2ALOX15KDM4E
SCHEMBL31214195 0.80 CYP1A2 (0.39) CYP2C19APLNRCYP1A2ALOX15KDM4E
SCHEMBL19919921 0.79 PDK2 (0.32) TDP1HSD11B1PDK2
SCHEMBL19919484 0.79 GABRA1 (0.36) APLNRHSD11B1GABRA1GABRB2
SCHEMBL709793 0.77 CYP2C19 (0.39) CYP2C19APLNRCYP1A2ALOX15KDM4E
SCHEMBL16336444 0.77 CYP2C19 (0.39) CYP2C19APLNRCYP1A2ALOX15KDM4E
SCHEMBL22348346 0.77 CYP2C19 (0.39) CYP2C19APLNRCYP1A2ALOX15KDM4E
SCHEMBL23896104 0.74 CHRNB2 (0.37) KDM4EHSD11B1PDK2
SCHEMBL19919869 0.74 HSD11B1 (0.32) HSD11B1

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007143847-A1 SPIROTROPANE COMPOUNDS VIROCHEM PHARMA INC. (CA) 2007-12-21 WO claimed
EP-4029868-B1 MCL-1 INHIBITORS GILEAD SCIENCES INC (US) 2026-05-20 EP disclosed
US-12624033-B2 KRAS inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2026-05-12 US disclosed
EP-4735440-A1 KRAS INHIBITORS Bristol-Myers Squibb Company (US) 2026-05-06 EP disclosed
EP-4735439-A1 KRAS INHIBITORS Bristol-Myers Squibb Company (US) 2026-05-06 EP disclosed
US-20260109698-A1 MALT-1 MODULATORS EXSCIENTIA AI LIMITED (GB) 2026-04-23 US disclosed
US-20250250271-A1 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2025-08-07 US disclosed
US-20250154148-A1 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2025-05-15 US disclosed
US-20250051327-A1 MALT-1 MODULATORS RECURSION PHARMACEUTICALS, INC. 2025-02-13 US disclosed
WO-2025006962-A1 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-01-02 WO disclosed
CN-113710656-A Substituted bicyclic compounds as farnesoid X receptor modulators 百时美施贵宝公司 2021-11-26 CN disclosed
US-10988451-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2021-04-27 US disclosed
EP-3793565-A1 MCL-1 INHIBITORS Gilead Sciences, Inc. (US) 2021-03-24 EP disclosed
CN-112118845-A MCL-1 inhibitors 吉利德科学公司 2020-12-22 CN disclosed
US-20200331870-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2020-10-22 US disclosed
WO-2020168143-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-20 WO disclosed
US-10703733-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2020-07-07 US disclosed
US-20190352271-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2019-11-21 US disclosed
US-8124613-B2 Spirotropane compounds VIROCHEM PHARMA INC. (CA) 2012-02-28 US disclosed
US-20110105546-A1 SPIROTROPANE COMPOUNDS VIROCHEM PHARMA INC. (CA) 2011-05-05 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 (10 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-20190352271-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 CYP2C19 4851/4885APLNR 3146/4885CYP1A2 4744/4885
US-20200331870-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 CYP2C19 4851/4885APLNR 3146/4885CYP1A2 4744/4885
US-10703733-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 CYP2C19 4851/4885APLNR 3146/4885CYP1A2 4744/4885
US-20250154148-A1 KRAS INHIBITORS KRAS, NRAS, HRAS CYP2C19 4653/4885APLNR 3049/4885CYP1A2 4746/4885
US-20250250271-A1 KRAS INHIBITORS KRAS, NRAS, HRAS CYP2C19 4653/4885APLNR 3049/4885CYP1A2 4746/4885
US-10988451-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 CYP2C19 4851/4885APLNR 3146/4885CYP1A2 4744/4885
US-20250051327-A1 MALT-1 MODULATORS MALT1, BCL6, BCL9 CYP2C19 3333/4885APLNR 4180/4885CYP1A2 2312/4885
US-20260109698-A1 MALT-1 MODULATORS MALT1, BCL6, BCL3 CYP2C19 3218/4885APLNR 3469/4885CYP1A2 2389/4885
US-20110105546-A1 SPIROTROPANE COMPOUNDS CCR5, CXCR1, CXCR2 CYP2C19 1030/4885APLNR 749/4885CYP1A2 963/4885
US-12624033-B2 KRAS inhibitors KRAS, NRAS, BRAF CYP2C19 3486/4885APLNR 3603/4885CYP1A2 4729/4885

“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.