Sugi Predict

Sugi Predict / Compounds / SCHEMBL583557

SCHEMBL583557

SCHEMBL583557

Cc1cc(CBr)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.50
▸ CYP4A11 Q02928 1/20 0.50
▸ S1PR1 P21453 6/20 0.41
▸ MCL1 Q07820 1/20 0.38
▸ IDO1 P14902 1/20 0.37
▸ PTPN7 P35236 1/20 0.36
▸ DUSP3 P51452 1/20 0.36
▸ ESR1 P03372 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ PNMT P11086 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KDM4A O75164 1/20 0.35
▸ KDM5A P29375 1/20 0.35

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
SCHEMBL29827544 1.00 CYP4F2 (0.50) CYP4F2CYP4A11S1PR1MCL1IDO1
SCHEMBL7458179 0.83 PNMT (0.41) CYP4F2CYP4A11S1PR1MCL1KMT2A
SCHEMBL7972551 0.82 CYP3A4 (0.46) CYP4F2CYP4A11S1PR1IDO1KMT2A
SCHEMBL81436 0.79 SKP2 (0.46) CYP4F2CYP4A11S1PR1KMT2APNMT
SCHEMBL9889467 0.79 MCL1 (0.45) CYP4F2CYP4A11MCL1KMT2AMEN1
SCHEMBL1291043 0.79 TTR (0.40) S1PR1MCL1IDO1PTPN7DUSP3
SCHEMBL12643 0.79 TRPA1 (0.43) CYP4F2CYP4A11S1PR1MCL1IDO1
SCHEMBL10128 0.78 IDO1 (0.58) CYP4F2CYP4A11IDO1PNMTPOLB
SCHEMBL29413271 0.78 IDO1 (0.58) CYP4F2CYP4A11IDO1PNMTPOLB
SCHEMBL29559999 0.78 ALDH1A1 (0.40) CYP4F2CYP4A11ESR1ESR2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3689879-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2025-02-12 — — EP disclosed
CN-111148746-B Heterocyclic compounds 武田药品工业株式会社 2022-08-05 — — CN disclosed
US-11274101-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-03-15 — — US disclosed
US-11242348-B2 — — 2022-02-08 — — US disclosed
WO-2020232807-A1 NAPHTHOQUINONE FUSED TRIAZOLE DERIVATIVE, PREPARATION METHOD AND APPLICATION THEREOF 广州中医药大学(广州中医药研究院) (CN) 2020-11-26 — — WO disclosed
US-20200255439-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-08-13 — — US disclosed
EP-3689879-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-08-05 — — EP disclosed
CN-111148746-A Heterocyclic compounds 武田药品工业株式会社 2020-05-12 — — CN disclosed
EP-2417120-B1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-10-26 — — EP disclosed
EP-2417120-B1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-10-26 — — EP disclosed
WO-2010115836-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 — — WO disclosed
WO-2010115836-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 — — WO disclosed
US-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-05-06 — — US disclosed
US-7595312-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-09-29 — — US disclosed
EP-1558600-B1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2008-05-07 — — EP disclosed
US-7329673-B2 Acylated spiropiperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2008-02-12 — — US disclosed
US-7329673-B2 Acylated spiropiperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2008-02-12 — — US disclosed
US-20060079504-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2006-04-13 — — US disclosed
EP-1558600-A1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-03 — — EP disclosed
WO-2004037810-A1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-06 — — 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-20200255439-A1 HETEROCYCLIC COMPOUND MAG, HTT, ACHE CYP4F2 4552/4885CYP4A11 3283/4885S1PR1 3508/4885
US-11274101-B2 Heterocyclic compound MAG, HTT, ACHE CYP4F2 4552/4885CYP4A11 3283/4885S1PR1 3508/4885
US-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA CYP4F2 1457/4885CYP4A11 654/4885S1PR1 1421/4885
US-20060079504-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA CYP4F2 1457/4885CYP4A11 654/4885S1PR1 1421/4885
US-11242348-B2 — MAG, ACHE, GAP43 CYP4F2 4796/4885CYP4A11 3842/4885S1PR1 2823/4885

“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.