Sugi Predict

Sugi Predict / Compounds / SCHEMBL1591406

SCHEMBL1591406

SCHEMBL1591406

O=C1CCC(=O)N1[Pd]Br.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ESR1 P03372 2/20 0.36
▸ ESR2 Q92731 2/20 0.36
▸ PARL Q9H300 4/20 0.35
▸ NOTUM Q6P988 1/20 0.33
▸ RAF1 P04049 1/20 0.32
▸ MAPK3 P27361 1/20 0.32
▸ MAP3K8 P41279 1/20 0.32
▸ MAP2K1 Q02750 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ ALOX12 P18054 1/20 0.30
▸ POLB P06746 1/20 0.30

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
SCHEMBL313161 0.79 CYP3A4 (0.50) CYP3A4TDP1ESR1ESR2PARL
Succinchlorimide SCHEMBL312793 0.75 CYP3A4 (0.50) CYP3A4TDP1ESR1ESR2PARL
SCHEMBL11197983 0.75 CYP3A4 (0.50) CYP3A4TDP1ESR1ESR2PARL
SCHEMBL4059553 0.72 TDP1 (0.75) CYP3A4TDP1ESR1ESR2ALDH1A1
SCHEMBL738665 0.72 TDP1 (0.75) CYP3A4TDP1ESR1ESR2ALDH1A1
SCHEMBL10792885 0.72 TDP1 (0.75) CYP3A4TDP1ESR1ESR2ALDH1A1
SCHEMBL29620307 0.67 TDP1 (0.75) CYP3A4TDP1ESR1ESR2ALDH1A1
SCHEMBL789244 0.67 TDP1 (0.75) CYP3A4TDP1ESR1ESR2ALDH1A1
Cyclopentanone SCHEMBL9343959 0.67 CYP3A4 (0.57) CYP3A4TDP1ESR1ESR2ALDH1A1
SCHEMBL101 0.67 TDP1 (1.00) CYP3A4TDP1ESR1ESR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260070899-A1 N-(2-(4-CYANOTHIAZOLIDIN-3-YL)-2-OXOETHYL)-QUINOLINE-4-CARBOXAMIDES ASTRAZENECA AB (SE) 2026-03-12 — — US disclosed
US-20220389310-A1 LUMINESCENT MATERIALS AND METHODS THEREOF UNIVERSITY OF WASHINGTON (US) 2022-12-08 — — US disclosed
WO-2021062035-A1 LUMINESCENT MATERIALS AND METHODS THEREOF UNIVERSITY OF WASHINGTON (US) 2021-04-01 — — WO disclosed
WO-2016201219-A1 SMALL MOLECULE INHIBITORS OF DIHYDROFOLATE REDUCTASE CIDARA THERAPEUTICS, INC. (US) 2016-12-15 — — WO disclosed
EP-2885285-B1 PYRAZOLE DRIVATIVES WHICH INHIBIT LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2016-10-19 — — EP disclosed
EP-2799424-B1 2-FLUOROPHENYLPROPIONIC ACID DERIVATIVE LTT BIO PHARMA CO LTD (JP) 2016-08-17 — — EP disclosed
US-9403830-B2 Inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-08-02 — — US disclosed
US-9221786-B2 2-fluorophenyl propionic acid derivatives LTT BIO-PHARMA CO., LTD. (JP) 2015-12-29 — — US disclosed
EP-2885285-A1 PYRAZOLE DERIVATIVES WHICH INHIBIT LEUKOTRIENE PRODUCTION Boehringer Ingelheim International GmbH (DE) 2015-06-24 — — EP disclosed
EP-2297110-B1 INDANE DERIVATIVES AS AMPA RECEPTOR MODULATORS MERCK SHARP & DOHME (NL) 2015-05-20 — — EP disclosed
US-20140031339-A1 INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-30 — — US disclosed
WO-2014014874-A1 PYRAZOLE DERIVATIVES WHICH INHIBIT LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-23 — — WO disclosed
US-8633237-B2 Indane derivatives MERCK SHARP & DOHME B.V. (NL) 2014-01-21 — — US disclosed
EP-2417101-B1 INDANE DERIVATIVES MERCK SHARP & DOHME (NL) 2013-10-23 — — EP disclosed
US-8536214-B2 Indane derivatives as AMPA receptor modulators N.V. ORGANON (NL) 2013-09-17 — — US disclosed
WO-2013041106-A1 SYSTEM PROVIDING CONTROLLED DELIVERY OF GASEOUS 11CO FOR CARBONYLATION REACTIONS IN THE PREPARATION OF RADIOPHARMACEUTICALS FOR PET IMAGING AARHUS UNIVERSITET (DK) 2013-03-28 — — WO disclosed
US-8293938-B2 Alkylphosphonous acids, salts and esters, methods for the production thereof, and use of the same CLARIANT FINANCE (BVI) LIMITED (VG) 2012-10-23 — — US disclosed
US-20120202781-A1 INDANE DERIVATIVES MSD OSS B.V. (NL) 2012-08-09 — — US disclosed
US-20110092539-A1 INDANE DERIVATIVES AS AMPA RECEPTOR MODULATORS N.V. ORGANON (NL) 2011-04-21 — — US disclosed
US-20100190901-A1 Alkylphosphonous Acids, Salts and Esters, Methods for the Production Thereof, and Use of the Same CLARIANT FINANCE (BVI) LIMITED (VG) 2010-07-29 — — US 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-20220389310-A1 LUMINESCENT MATERIALS AND METHODS THEREOF TYR, GSTA2, CYBA CYP3A4 622/4885TDP1 1565/4885ESR1 273/4885
US-20140031339-A1 INHIBITORS OF LEUKOTRIENE PRODUCTION LTA4H, LTB4R, LTB4R2 CYP3A4 619/4885TDP1 3399/4885ESR1 2929/4885
US-20120202781-A1 INDANE DERIVATIVES CHRNA5, CHRNA2, GRIK5 CYP3A4 2573/4885TDP1 1727/4885ESR1 418/4885
US-20260070899-A1 N-(2-(4-CYANOTHIAZOLIDIN-3-YL)-2-OXOETHYL)-QUINOLINE-4-CARBOXAMIDES FAP, CTRL, CTSC CYP3A4 2148/4885TDP1 1528/4885ESR1 4794/4885
US-20110092539-A1 INDANE DERIVATIVES AS AMPA RECEPTOR MODULATORS GRIK5, GRIN3A, GRIK2 CYP3A4 2750/4885TDP1 2106/4885ESR1 359/4885

“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.