Sugi Predict

Sugi Predict / Compounds / SCHEMBL222474

SCHEMBL222474

SCHEMBL222474

O=C(O)c1cc(F)ccc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.55
▸ ASPH Q12797 1/20 0.49
▸ CES2 O00748 3/20 0.48
▸ MPO P05164 1/20 0.48
▸ CES1 P23141 2/20 0.45
▸ KCNK2 O95069 1/20 0.42
▸ HCRTR1 O43613 1/20 0.42
▸ HCRTR2 O43614 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ MRGPRX4 Q96LA9 1/20 0.41
▸ GRIK1 P39086 1/20 0.41
▸ DAO P14920 1/20 0.41
▸ RBP4 P02753 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MYC P01106 1/20 0.41

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
SCHEMBL29406303 1.00 KEAP1 (0.55) KEAP1ASPHCES2MPOCES1
SCHEMBL28021530 0.86 CES2 (0.50) KEAP1CES2MPOCES1HCRTR1
SCHEMBL334641 0.86 KEAP1 (0.52) KEAP1ASPHCES2MPOCES1
SCHEMBL4761587 0.82 KIF11 (0.47) KEAP1CES2MPOCES1HCRTR1
SCHEMBL13145643 0.82 KEAP1 (0.53) KEAP1CES2MPOCES1KCNK2
SCHEMBL936738 0.82 CES2 (0.47) KEAP1CES2MPOCES1HCRTR1
SCHEMBL29789772 0.82 CES2 (0.47) KEAP1CES2MPOCES1HCRTR1
SCHEMBL8924033 0.82 RXRA (0.50) ASPHCES2KDM4EALDH1A1HPGD
SCHEMBL24895058 0.80 CA12 (0.55) ASPHCES2KDM4EALDH1A1HPGD
SCHEMBL503272 0.80 CES2 (0.75) ASPHCES2KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116836081-A Ether epoxy toughening agent and preparation method and application thereof 中国林业科学研究院林产化学工业研究所 2023-10-03 — — CN claimed
EP-3551633-B1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2021-03-31 — — EP claimed
CN-110088108-A SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS 利奥制药有限公司 2019-08-02 — — CN claimed
US-8853619-B2 Method for detecting tracer compounds for hydrocarbon production TOTAL S.A. (FR) 2014-10-07 — — US claimed
US-20110260051-A1 METHOD FOR DETECTING TRACER COMPOUNDS FOR HYDROCARBON PRODUCTION TOTAL S.A. (FR) 2011-10-27 — — US claimed
US-12435040-B2 1,3-substituted cyclobutyl derivatives and uses thereof BAUSCH + LOMB IRELAND LIMITED (IE) 2025-10-07 — — US disclosed
US-12378254-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2025-08-05 — — US disclosed
US-12312337-B2 Compounds and methods for treating cancer ANTIDOTE IP HOLDINGS, LLC (US) 2025-05-27 — — US disclosed
EP-4267574-B1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS INC (US) 2025-04-23 — — EP disclosed
US-20250114460-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2025-04-10 — — US disclosed
WO-2025072539-A1 AMINO ACID COMPOUNDS WITH NITROGEN LINKERS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2025-04-03 — — WO disclosed
US-20250051310-A1 BENZAZEPINE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2025-02-13 — — US disclosed
US-7067506-B2 Compounds useful for inhibiting Chk1 ICOS CORPORATION (US) 2006-06-27 — — US disclosed
US-20050245525-A1 Compounds useful for inhibiting CHK1 ICOS CORPORATION (US) 2005-11-03 — — US disclosed
CN-1507436-A Aryl and heteroaryl urea CHK1 inhibitors for use as radiosensitizers and chamosensitizers — 2004-06-23 — — CN disclosed
EP-1379510-A1 ARYL AND HETEROARYL UREA CHK1 INHIBITORS FOR USE AS RADIOSENSITIZERS AND CHAMOSENSITIZERS ICOS CORPORATION (US) 2004-01-14 — — EP disclosed
US-20030069284-A1 Compounds useful for inhibiting Chk1 ICOS CORPORATION (A WASHINGTON CORPORATION) 2003-04-10 — — US disclosed
WO-2002070494-A1 ARYL AND HETEROARYL UREA CHK1 INHIBITORS FOR USE AS RADIOSENSITIZERS AND CHAMOSENSITIZERS ICOS CORPORATION (US) 2002-09-12 — — WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 — — EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 — — WO 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 (7 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-12435040-B2 1,3-substituted cyclobutyl derivatives and uses thereof TRPV1, TRPV3, TRPV2 KEAP1 440/4885ASPH 2730/4885CES2 3032/4885
US-20050245525-A1 Compounds useful for inhibiting CHK1 CHEK1, PCNA, CHEK2 KEAP1 405/4885ASPH 3642/4885CES2 2822/4885
US-12378254-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators HCRTR2, HCRTR1, OXTR KEAP1 2381/4885ASPH 966/4885CES2 3356/4885
US-20030069284-A1 Compounds useful for inhibiting Chk1 CHEK1, PCNA, CHEK2 KEAP1 405/4885ASPH 3642/4885CES2 2822/4885
US-20250114460-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND PLK1, BUB1B, BUB1 KEAP1 746/4885ASPH 3652/4885CES2 4564/4885
US-20250051310-A1 BENZAZEPINE DERIVATIVES AVPR2, AVPR1A, AVPR1B KEAP1 1244/4885ASPH 504/4885CES2 1490/4885
US-12312337-B2 Compounds and methods for treating cancer AHR, ARNT, HMOX1 KEAP1 15/4885ASPH 418/4885CES2 1667/4885

“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.