SCHEMBL2585723

SCHEMBL2585723

Cc1ccc(C(C)(C)O)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.40
ALDH1A1 P00352 3/20 0.40
ALOX15 P16050 2/20 0.40
ALOX12 P18054 2/20 0.40
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
CASP1 P29466 1/20 0.40
RECQL P46063 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ESR1 P03372 3/20 0.39
MTOR P42345 1/20 0.37
CHEK1 O14757 1/20 0.34
DAPK3 O43293 1/20 0.34
RET P07949 1/20 0.34
PDGFRB P09619 1/20 0.34
PIM1 P11309 1/20 0.34
PDGFRA P16234 1/20 0.34
KDR P35968 1/20 0.34

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
SCHEMBL30573057 0.84 CHRNA1 (0.41) HPGDALDH1A1ALOX15ALOX12TSHR
SCHEMBL137338 0.84 CHRNA1 (0.41) HPGDALDH1A1ALOX15ALOX12TSHR
SCHEMBL1188477 0.82 TSHR (0.44) HPGDALDH1A1ALOX15ALOX12TSHR
SCHEMBL30039195 0.82 TSHR (0.44) HPGDALDH1A1ALOX15ALOX12TSHR
SCHEMBL12051657 0.81 ESR1 (0.44) HPGDALDH1A1ALOX15TSHRCYP3A4
SCHEMBL20934590 0.80 HSD11B1 (0.43) ALOX15ALOX12MTOR
SCHEMBL20919560 0.79 MTOR (0.36) HPGDALDH1A1ALOX15ALOX12TSHR
SCHEMBL20934596 0.79 MTOR (0.36) HPGDALDH1A1ALOX15ALOX12TSHR
SCHEMBL20918956 0.79 MTOR (0.36) HPGDALDH1A1ALOX15ALOX12TSHR
SCHEMBL19433268 0.78 ALOX15 (0.36) HPGDALDH1A1ALOX15ALOX12TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12435060-B2 Acylamino bridged heterocyclic compound, and composition and application thereof BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2025-10-07 US disclosed
EP-3227270-B1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RES LAB (KR) 2024-11-13 EP disclosed
EP-3901147-B1 ACYLAMINO BRIDGED HETEROCYCLIC COMPOUND, AND COMPOSITION AND APPLICATION THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-11-22 EP disclosed
CN-111315727-B Benzothiazole compounds and methods of treating neurodegenerative diseases using the same 第一生物治疗股份有限公司 2023-09-29 CN disclosed
EP-3692023-B1 BENZOTHIAZOL COMPOUNDS AND METHODS USING THE SAME FOR TREATING NEURODEGENERATIVE DISORDERS 1ST BIOTHERAPEUTICS INC (KR) 2023-05-17 EP disclosed
EP-3692023-B1 BENZOTHIAZOL COMPOUNDS AND METHODS USING THE SAME FOR TREATING NEURODEGENERATIVE DISORDERS 1ST BIOTHERAPEUTICS INC (KR) 2023-05-17 EP disclosed
US-20230026425-A1 ACYLAMINO BRIDGED HETEROCYCLIC COMPOUND, AND COMPOSITION AND APPLICATION THEREOF BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2023-01-26 US disclosed
CN-113166116-B Amido bridged heterocyclic compound, and composition and application thereof 北京赛特明强医药科技有限公司 2022-12-27 CN disclosed
EP-3901147-A1 ACYLAMINO BRIDGED HETEROCYCLIC COMPOUND, AND COMPOSITION AND APPLICATION THEREOF Beijing Scitech-MQ Pharmaceuticals Limited (CN) 2021-10-27 EP disclosed
CN-113166116-A Amido bridged heterocyclic compound, and composition and application thereof 北京赛特明强医药科技有限公司 2021-07-23 CN disclosed
US-20130035332-A1 Substituted 1,3-Benzothiazol-2(3H)-Ones and [1,3]Thiazolo[5,4-B]Pyridin-2(IH)-Ones as Positive Allosteric Modulators of MGLUR2 MERCK SHARP & DOHME CORP. 2013-02-07 US disclosed
US-20130035332-A1 Substituted 1,3-Benzothiazol-2(3H)-Ones and [1,3]Thiazolo[5,4-B]Pyridin-2(IH)-Ones as Positive Allosteric Modulators of MGLUR2 MERCK SHARP & DOHME CORP. 2013-02-07 US disclosed
US-20130035332-A1 Substituted 1,3-Benzothiazol-2(3H)-Ones and [1,3]Thiazolo[5,4-B]Pyridin-2(IH)-Ones as Positive Allosteric Modulators of MGLUR2 MERCK SHARP & DOHME CORP. 2013-02-07 US disclosed
US-20120322785-A1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2012-12-20 US disclosed
US-20120322785-A1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2012-12-20 US disclosed
US-20120322785-A1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2012-12-20 US disclosed
WO-2012080284-A2 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 WO disclosed
WO-2011156245-A2 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME CORP. (US) 2011-12-15 WO disclosed
WO-2011156245-A2 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME CORP. (US) 2011-12-15 WO disclosed
WO-2011137046-A1 SUBSTITUTED 1,3-BENZOTHIAZOL-2(3H)-ONES AND [1,3]THIAZOLO[5,4-B]PYRIDIN-2(1H)-ONES AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME CORP. (US) 2011-11-03 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 (4 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-20230026425-A1 ACYLAMINO BRIDGED HETEROCYCLIC COMPOUND, AND COMPOSITION AND APPLICATION THEREOF RIPK1, RIPK3, RIPK4 HPGD 2673/4885ALDH1A1 4164/4885ALOX15 1725/4885
US-20120322785-A1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF XDH, CYP2B6, COX6B1 HPGD 593/4885ALDH1A1 1279/4885ALOX15 2413/4885
US-20130035332-A1 Substituted 1,3-Benzothiazol-2(3H)-Ones and [1,3]Thiazolo[5,4-B]Pyridin-2(IH)-Ones as Positive Allosteric Modulators of MGLUR2 GRM2, GRM1, GRIK2 HPGD 1590/4885ALDH1A1 2671/4885ALOX15 3248/4885
US-12435060-B2 Acylamino bridged heterocyclic compound, and composition and application thereof RIPK1, RIPK3, RIPK4 HPGD 2673/4885ALDH1A1 4164/4885ALOX15 1725/4885

“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.