Sugi Predict

Sugi Predict / Compounds / SCHEMBL20185086

SCHEMBL20185086

SCHEMBL20185086

OC(CCl)c1ccc(Br)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ S1PR3 Q99500 7/20 0.36
▸ S1PR4 O95977 4/20 0.36
▸ ADRA2A P08913 2/20 0.35
▸ ADRA2B P18089 2/20 0.35
▸ ADRA2C P18825 2/20 0.35
▸ PLAU P00749 1/20 0.35
▸ GBA1 P04062 1/20 0.35
▸ S1PR2 O95136 2/20 0.35
▸ FDPS P14324 1/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ GFER P55789 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ GSK3B P49841 1/20 0.32
▸ S1PR1 P21453 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
SCHEMBL30504098 1.00 KDM4E (0.37) KDM4EALDH1A1S1PR3S1PR4ADRA2A
SCHEMBL15856223 1.00 KDM4E (0.37) KDM4EALDH1A1S1PR3S1PR4ADRA2A
SCHEMBL29876671 0.82 GBA1 (0.44) KDM4EALDH1A1S1PR3S1PR4ADRA2A
SCHEMBL6135735 0.82 GBA1 (0.44) KDM4EALDH1A1S1PR3S1PR4ADRA2A
SCHEMBL4901498 0.82 KDM4E (0.38) KDM4EALDH1A1S1PR3S1PR4ADRA2A
SCHEMBL15856172 0.81 TAAR1 (0.39) KDM4EALDH1A1S1PR3S1PR4ADRA2A
SCHEMBL29182976 0.81 KDM4E (0.37) KDM4EALDH1A1S1PR3S1PR4ADRA2A
SCHEMBL27961890 0.81 TAAR1 (0.39) KDM4EALDH1A1S1PR3S1PR4ADRA2A
SCHEMBL30931223 0.81 KDM4E (0.37) KDM4EALDH1A1S1PR3S1PR4ADRA2A
SCHEMBL20832723 0.78 BRD4 (0.37) S1PR3S1PR4ADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110198928-B Benzyloxy-pyridinyl-cyclopropanecarboxylic acid, pharmaceutical compositions and uses thereof 勃林格殷格翰国际有限公司 2023-08-29 — — CN disclosed
CN-110177773-B Benzyl aminopyridine cyclopropanecarboxylic acid, pharmaceutical composition and application thereof 勃林格殷格翰国际有限公司 2023-08-25 — — CN disclosed
CN-110312706-B Indanyl aminopyridyl cyclopropanecarboxylic acid, pharmaceutical composition and application thereof 勃林格殷格翰国际有限公司 2023-08-18 — — CN disclosed
EP-3573952-B1 BENZYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICALCOMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2021-07-14 — — EP disclosed
EP-3544958-B1 INDANYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2021-03-24 — — EP disclosed
US-10919859-B2 Benzylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-02-16 — — US disclosed
US-10913720-B2 Benzyloxypyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-02-09 — — US disclosed
US-20190352266-A1 Benzylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-11-21 — — US disclosed
EP-3544958-A1 INDANYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2019-10-02 — — EP disclosed
US-10125101-B2 Indanylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-11-13 — — US disclosed
WO-2018138029-A1 BENZYLOXYPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-08-02 — — WO disclosed
WO-2018138027-A1 BENZYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICALCOMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-08-02 — — WO disclosed
US-20180148411-A1 INDANYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-05-31 — — US disclosed
WO-2018095877-A1 INDANYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-05-31 — — 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-10913720-B2 Benzyloxypyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof GPR119, GPR65, GPR52 KDM4E 2450/4885ALDH1A1 1812/4885S1PR3 345/4885
US-10125101-B2 Indanylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof GPR119, GPR65, GPR55 KDM4E 3068/4885ALDH1A1 1450/4885S1PR3 539/4885
US-10919859-B2 Benzylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof GPR119, GPR65, GPR52 KDM4E 2493/4885ALDH1A1 1719/4885S1PR3 440/4885
US-20180148411-A1 INDANYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF GPR119, GPR65, GPR55 KDM4E 3068/4885ALDH1A1 1450/4885S1PR3 539/4885
US-20190352266-A1 Benzylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof GPR119, GPR65, GPR52 KDM4E 2493/4885ALDH1A1 1719/4885S1PR3 440/4885

“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.