Sugi Predict

Sugi Predict / Compounds / SCHEMBL317457

SCHEMBL317457

SCHEMBL317457

CC(C)(CO)c1cc[c]cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ SHBG P04278 1/20 0.35
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.33
▸ PRKAB2 O43741 2/20 0.33
▸ PRKAG1 P54619 2/20 0.33
▸ PRKAA2 P54646 2/20 0.33
▸ PRKAA1 Q13131 2/20 0.33
▸ PRKAG3 Q9UGI9 2/20 0.33
▸ PRKAG2 Q9UGJ0 2/20 0.33
▸ PRKAB1 Q9Y478 2/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL4593380 0.82 CNR1 (0.48) CNR1CNR2SHBGESR1ESR2
SCHEMBL578291 0.78 NPC1 (0.44) CNR2TAAR1SMN1; SMN2
SCHEMBL1032610 0.76 TAAR1 (0.33) SHBGESR1ESR2TAAR1
SCHEMBL236446 0.76 SHBG (0.56) CNR1SHBGESR1ESR2TAAR1
SCHEMBL28163495 0.76 TAAR1 (0.33) SHBGESR1ESR2TAAR1
SCHEMBL16035570 0.76 TAAR1 (0.33) SHBGESR1ESR2TAAR1
SCHEMBL27480853 0.76 NPC1 (0.42) CNR2TAAR1SMN1; SMN2
SCHEMBL3596579 0.76 TAAR1 (0.60) SHBGESR1ESR2TAAR1
SCHEMBL21684968 0.76 TAAR1 (0.33) SHBGESR1ESR2TAAR1
SCHEMBL300764 0.75 TAAR1 (0.58) CNR1CNR2ESR1ESR2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023070120-A1 KETOAMIDES FOR TREATING MALIGNANCY BIOTHERYX, INC. (US) 2023-04-27 — — WO claimed
US-11345712-B2 Protein-targeting compounds and pharmaceutical compositions thereof, and their therapeutic applications BIOTHERYX, INC. (US) 2022-05-31 — — US claimed
CN-114502543-A Targeted protein compounds, pharmaceutical compositions and therapeutic applications thereof 拜欧斯瑞克斯公司 2022-05-13 — — CN claimed
WO-2020242960-A1 COMPOUNDS TARGETING PROTEINS AND PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2020-12-03 — — WO claimed
US-20200369679-A1 PROTEIN-TARGETING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2020-11-26 — — US claimed
US-20190117679-A1 IMIDAZOPYRIDINES SYK INHIBITORS Kronos Bio, Inc. 2019-04-25 — — US claimed
CN-104744476-B IMIDAZOPYRAZINE Syk INHIBITORS 吉利德康涅狄格公司 2017-04-12 — — CN claimed
US-9365485-B2 Substituted arylcyclopentenes as therapeutic agents ALLERGAN, INC. (US) 2016-06-14 — — US claimed
EP-2373169-B1 IMIDAZOPYRAZINE SYK INHIBITORS GILEAD CONNECTICUT INC (US) 2015-05-20 — — EP claimed
US-20140336169-A1 IMIDAZOPYRAZINE SYK INHIBITORS GILEAD CONNECTICUT, INC. (US) 2014-11-13 — — US claimed
WO-2010068257-A1 IMIDAZOPYRAZINE SYK INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2010-06-17 — — WO claimed
US-20100137347-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2010-06-03 — — US claimed
EP-2121609-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS Allergan, Inc. (US) 2009-11-25 — — EP claimed
WO-2009094286-A1 HYDRAZINES IN GLAUCOMA THERAPY ALLERGAN, INC. (US) 2009-07-30 — — WO claimed
US-20090192151-A1 THERAPEUTIC AMIDES AND RELATED COMPOUNDS ALLERGAN, INC. 2009-07-30 — — US claimed
WO-2008091818-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2008-07-31 — — WO claimed
EP-0525628-B1 Composite fiber containing inorganic fine powder KURARAY CO (JP) 1998-04-22 — — EP claimed
CN-1127252-A Branched-amino-sbustituted thiazoles, processes for their preparation and the pharmaceutical compositions which contain them SANOFI SA (FR) 1996-07-24 — — CN claimed
US-5464695-A Styrene-isoprene block copolymer, inorganic powder KURARAY COMPANY LIMITED (JP) 1995-11-07 — — US claimed
EP-0525628-A2 Composite fiber containing inorganic fine powder KURARAY CO., LTD. (JP) 1993-02-03 — — EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20190117679-A1 IMIDAZOPYRIDINES SYK INHIBITORS SYK, BTK, ZAP70 CNR1 3165/4885CNR2 2421/4885SHBG 4574/4885
US-20090192151-A1 THERAPEUTIC AMIDES AND RELATED COMPOUNDS VIP, SHH, GLI1 CNR1 231/4885CNR2 92/4885SHBG 2120/4885
US-11345712-B2 Protein-targeting compounds and pharmaceutical compositions thereof, and their therapeutic applications HSP90B1, EIF4EBP1, SERPINA6 CNR1 3846/4885CNR2 4042/4885SHBG 925/4885
US-20200369679-A1 PROTEIN-TARGETING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS HSP90B1, EIF4EBP1, SERPINA6 CNR1 3846/4885CNR2 4042/4885SHBG 925/4885
US-20140336169-A1 IMIDAZOPYRAZINE SYK INHIBITORS SYK, BTK, ZAP70 CNR1 3210/4885CNR2 2392/4885SHBG 4487/4885
US-20100137347-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, THPO, UGT2B7 CNR1 458/4885CNR2 439/4885SHBG 1836/4885

“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.