Sugi Predict

Sugi Predict / Compounds / SCHEMBL4086993

SCHEMBL4086993

SCHEMBL4086993

BrCCOc1ccc(CBr)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HRH3 Q9Y5N1 3/20 0.39
▸ LTA4H P09960 2/20 0.39
▸ KEAP1 Q14145 1/20 0.38
▸ NFE2L2 Q16236 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL9705589 0.90 TRPA1 (0.43) TRPA1ALDH1A1TSHRHRH3LTA4H
SCHEMBL9705573 0.88 KCNA3 (0.50) HRH3
SCHEMBL8140756 0.87 NPC1 (0.47) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL10614694 0.86 KCNA3 (0.48) —
SCHEMBL9539656 0.86 KCNA3 (0.48) —
SCHEMBL14150420 0.86 LTA4H (0.53) HRH3LTA4HCYP1A2CYP2D6CYP2C9
SCHEMBL9705568 0.86 KCNA3 (0.48) —
SCHEMBL8884778 0.85 PRMT1 (0.46) HRH3CYP2D6
SCHEMBL1573293 0.84 APP (0.47) TRPA1ALDH1A1TSHRNPC1MAPT
SCHEMBL9539720 0.84 APP (0.47) TRPA1ALDH1A1TSHRNPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113582960-B Near-infrared fluorescent probe for detecting CYP 1A1 enzyme 东南大学 2022-06-28 — — CN claimed
CN-113582960-A Near-infrared fluorescent probe for detecting CYP 1A1 enzyme 东南大学 2021-11-02 — — CN claimed
US-20230226195-A1 TARGETED ABERRANT ALPHA-SYNUCLEIN SPECIES AND INDUCED UBIQUITINATION AND PROTEOSOMAL CLEARANCE VIA CO-RECRUITMENT OF AN E3-LIGASE SYSTEM DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-07-20 — — US disclosed
US-20230226195-A1 TARGETED ABERRANT ALPHA-SYNUCLEIN SPECIES AND INDUCED UBIQUITINATION AND PROTEOSOMAL CLEARANCE VIA CO-RECRUITMENT OF AN E3-LIGASE SYSTEM DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-07-20 — — US disclosed
US-20230226195-A1 TARGETED ABERRANT ALPHA-SYNUCLEIN SPECIES AND INDUCED UBIQUITINATION AND PROTEOSOMAL CLEARANCE VIA CO-RECRUITMENT OF AN E3-LIGASE SYSTEM DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-07-20 — — US disclosed
CN-113582960-B Near-infrared fluorescent probe for detecting CYP 1A1 enzyme 东南大学 2022-06-28 — — CN disclosed
CN-113582960-A Near-infrared fluorescent probe for detecting CYP 1A1 enzyme 东南大学 2021-11-02 — — CN disclosed
EP-3581565-A1 PHENYL BENZYL ETHER DERIVATIVE AND PREPARATION METHOD AND APPLICATION THEREOF Beijing Zhibo Bio-Medical Technology Co., Ltd. (CN) 2019-12-18 — — EP disclosed
US-20170037008-A1 PHENYL BENZYL ETHER DERIVATIVE AND PREPARATION METHOD AND APPLICATION THEREOF ZHANG ZHIYONG (CN) 2017-02-09 — — US disclosed
CN-103724207-B Phenylbenzyl ether derivative and its preparation method and application 北京智博高科生物技术有限公司 2016-07-06 — — CN disclosed
US-20130149239-A1 5-PYRROLIDINYLSULFONYL-ISATIN DERIVATIVES UNIVERSITATSKLINIKUM MUNSTER (DE) 2013-06-13 — — US disclosed
US-20130149239-A1 5-PYRROLIDINYLSULFONYL-ISATIN DERIVATIVES UNIVERSITATSKLINIKUM MUNSTER (DE) 2013-06-13 — — US disclosed
US-8440841-B2 5-pyrrolidinylsulfonyl isatin derivatives Universitätsklinikum Münster (DE) 2013-05-14 — — US disclosed
US-8329686-B2 Isatin analogues and uses therefor WASHINGTON UNIVERSITY (US) 2012-12-11 — — US disclosed
US-20090068105-A1 ISATIN ANALOGUES AND USES THEREFOR WASHINGTON UNIVERSITY IN ST. LOUIS 2009-03-12 — — US disclosed
US-20090041664-A1 5-Pyrrolidinylsulfonyl Isatin Derivatives UNIVERSITATSKLINIKUM MUNSTER (DE) 2009-02-12 — — US disclosed
EP-1841759-A2 5-PYRROLIDINYLSULFONYL ISATIN DERIVATIVES Universitätsklinikum Münster (DE) 2007-10-10 — — EP disclosed
WO-2006074799-A2 5-PYRROLIDINYLSULFONYL ISATIN DERIVATIVES Universitätsklinikum Münster (DE) 2006-07-20 — — WO disclosed
WO-2006074799-A2 5-PYRROLIDINYLSULFONYL ISATIN DERIVATIVES Universitätsklinikum Münster (DE) 2006-07-20 — — 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 (5 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-20130149239-A1 5-PYRROLIDINYLSULFONYL-ISATIN DERIVATIVES CASP5, SLC1A5, CTSZ TRPA1 769/4885ALDH1A1 3602/4885TSHR 1511/4885
US-20170037008-A1 PHENYL BENZYL ETHER DERIVATIVE AND PREPARATION METHOD AND APPLICATION THEREOF APP, PSEN1, PSEN2 TRPA1 2151/4885ALDH1A1 3616/4885TSHR 2465/4885
US-20090041664-A1 5-Pyrrolidinylsulfonyl Isatin Derivatives CASP5, CTSZ, CTSS TRPA1 810/4885ALDH1A1 3509/4885TSHR 1586/4885
US-20090068105-A1 ISATIN ANALOGUES AND USES THEREFOR CASP7, CASP3, HASPIN TRPA1 3986/4885ALDH1A1 2911/4885TSHR 4234/4885
US-20230226195-A1 TARGETED ABERRANT ALPHA-SYNUCLEIN SPECIES AND INDUCED UBIQUITINATION AND PROTEOSOMAL CLEARANCE VIA CO-RECRUITMENT OF AN E3-LIGASE SYSTEM SNCA, ADRM1, UBE3C TRPA1 4466/4885ALDH1A1 3075/4885TSHR 4450/4885

“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.