Sugi Predict

Sugi Predict / Compounds / SCHEMBL1508485

SCHEMBL1508485

SCHEMBL1508485

O[C@H]1CCc2c1cccc2C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 3/20 0.44
▸ CYP11B2 P19099 3/20 0.44
▸ PNMT P11086 1/20 0.42
▸ S1PR1 P21453 4/20 0.42
▸ GAA P10253 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ HTR2C P28335 2/20 0.41
▸ TRPV1 Q8NER1 1/20 0.40
▸ FFAR1 O14842 4/20 0.40
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ NOTUM Q6P988 1/20 0.39

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
SCHEMBL15531953 1.00 CYP11B1 (0.44) CYP11B1CYP11B2PNMTS1PR1GAA
SCHEMBL1508513 1.00 CYP11B1 (0.44) CYP11B1CYP11B2PNMTS1PR1GAA
SCHEMBL29878084 1.00 CYP11B1 (0.44) CYP11B1CYP11B2PNMTS1PR1GAA
SCHEMBL29668889 1.00 CYP11B1 (0.44) CYP11B1CYP11B2PNMTS1PR1GAA
SCHEMBL1508232 0.90 CYP11B1 (0.45) CYP11B1CYP11B2PNMTGAATDP1
SCHEMBL18410118 0.86 S1PR1 (0.38) CYP11B1CYP11B2PNMTS1PR1GAA
SCHEMBL9275083 0.86 CYP11B1 (0.38) CYP11B1CYP11B2PNMTS1PR1GAA
SCHEMBL9886216 0.82 S1PR1 (0.36) CYP11B1CYP11B2PNMTS1PR1GAA
SCHEMBL17563589 0.82 CA2 (0.41) CYP11B1CYP11B2S1PR1TDP1TRPV1
SCHEMBL17563590 0.82 CA2 (0.41) CYP11B1CYP11B2S1PR1TDP1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114671878-B Substituted nitrogen-containing bicyclic compounds and uses thereof 广东东阳光药业有限公司 2023-08-04 — — CN disclosed
WO-2022135534-A1 SUBSTITUTED NITROGEN-CONTAINING BICYCLIC COMPOUND AND USE THEREOF 广东东阳光药业有限公司 2022-06-30 — — WO disclosed
CN-114671878-A Substituted nitrogen-containing bicyclic compounds and uses thereof 广东东阳光药业有限公司 2022-06-28 — — CN disclosed
WO-2021000933-A1 PYRIMIDINONE COMPOUNDS AS CHYMASE INHIBITORS AND APPLICATION THEREOF 南京明德新药研发有限公司 2021-01-07 — — WO disclosed
CN-108059607-B Sulfonylacetic acid or sulfonyl acetic acid derivative, and pharmaceutical composition, preparation method and application thereof 中国科学院上海药物研究所 2020-11-17 — — CN disclosed
US-20200061063-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-02-27 — — US disclosed
US-20200061063-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-02-27 — — US disclosed
US-10300062-B2 Bicyclically substituted uracils and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-05-28 — — US disclosed
US-10300062-B2 Bicyclically substituted uracils and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-05-28 — — US disclosed
US-20180256576-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-09-13 — — US disclosed
US-8476287-B2 3-hydroxy-5-arylisothiazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 — — US disclosed
US-20120302566-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-29 — — US disclosed
EP-2518060-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-10-31 — — EP disclosed
CN-102712610-A Novel 3-hydroxy-5-arylisothiazole derivatives MOCHIDA PHARM CO LTD 2012-10-03 — — CN disclosed
US-8222281-B2 Carboxylic acid compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-07-17 — — US disclosed
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 — — US disclosed
WO-2012072691-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 — — WO disclosed
CN-102076650-A Carboxylic acid compound DAIICHI SANKYO CO LTD 2011-05-25 — — CN disclosed
US-20110053974-A1 CARBOXYLIC ACID COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-03 — — US disclosed
EP-2289868-A1 CARBOXYLIC ACID COMPOUND Daiichi Sankyo Company, Limited (JP) 2011-03-02 — — EP 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 (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-20110053974-A1 CARBOXYLIC ACID COMPOUND AKR1C3, SLC5A1, GPR119 CYP11B1 79/4885CYP11B2 106/4885PNMT 4405/4885
US-10300062-B2 Bicyclically substituted uracils and the use thereof UNG, UMPS, TYMP CYP11B1 529/4885CYP11B2 406/4885PNMT 774/4885
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE GPR119, GPR27, NR0B1 CYP11B1 559/4885CYP11B2 1089/4885PNMT 4019/4885
US-20200061063-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF UNG, UMPS, TYMP CYP11B1 529/4885CYP11B2 406/4885PNMT 774/4885
US-20120302566-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS GPR119, INSR, GPR52 CYP11B1 383/4885CYP11B2 482/4885PNMT 2568/4885
US-20180256576-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF UNG, UMPS, TYMP CYP11B1 529/4885CYP11B2 406/4885PNMT 774/4885

“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.