Sugi Predict

Sugi Predict / Compounds / SCHEMBL5161323

SCHEMBL5161323

SCHEMBL5161323

N#CCC(=O)c1cc2ccccc2s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 1/20 0.57
▸ HDAC3 O15379 1/20 0.54
▸ HDAC4 P56524 1/20 0.54
▸ HDAC1 Q13547 1/20 0.54
▸ HDAC7 Q8WUI4 1/20 0.54
▸ HDAC2 Q92769 1/20 0.54
▸ HDAC10 Q969S8 1/20 0.54
▸ HDAC11 Q96DB2 1/20 0.54
▸ HDAC8 Q9BY41 1/20 0.54
▸ HDAC6 Q9UBN7 1/20 0.54
▸ HDAC9 Q9UKV0 1/20 0.54
▸ HDAC5 Q9UQL6 1/20 0.54
▸ SLC9A1 P19634 2/20 0.49
▸ CNR1 P21554 1/20 0.48
▸ CNR2 P34972 1/20 0.48
▸ DYRK1A Q13627 1/20 0.48
▸ RAB9A P51151 1/20 0.47
▸ HRH4 Q9H3N8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CTSB P07858 1/20 0.44

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
SCHEMBL24681238 0.80 HDAC1 (0.41) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL30702997 0.80 HDAC1 (0.41) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL28118458 0.80 BCL2L1 (0.65) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL6334117 0.78 BCL2L1 (0.62) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1574615 0.78 BCL2L1 (0.62) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL10313792 0.78 BCL2L1 (0.62) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL231135 0.78 BCL2L1 (0.62) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL11224434 0.78 BCL2L1 (0.50) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9585720 0.77 BCL2L1 (0.66) BCL2L1HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL4918686 0.77 BCL2L1 (0.61) BCL2L1HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858921-B2 Uracil derivatives as TRPA1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-01-02 — — US disclosed
US-11858921-B2 Uracil derivatives as TRPA1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-01-02 — — US disclosed
US-20220340590-A1 3H,4H-THIENO[2,3-D]PYRIMIDIN-4-ONE DERIVATIVES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-10-27 — — US disclosed
WO-2022219012-A1 3H,4H,5H,6H,7H-PYRIMIDO[4,5-B][1,4]OXAZINE-4,6-DIONE DERIVATIVES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-10-20 — — WO disclosed
WO-2022219013-A1 URACIL DERIVATIVES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-10-20 — — WO disclosed
EP-2471786-B1 AMINOPYRAZOLE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-11-04 — — EP disclosed
US-9102692-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-11 — — US disclosed
US-9102692-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-11 — — US disclosed
US-9102692-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-11 — — US disclosed
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2014-10-23 — — US disclosed
US-8829199-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2014-09-09 — — US disclosed
US-8293899-B2 Ketone transfer hydrogenation of stereoisomerically enriched 3-heteroaryl-3-oxocarboxylic esters by reducing 3-heteroaryl-3-hydroxycarboxylic esters in the presence of a ruthenium-containing catalyst, an amine and formic acid and/or formates LANXESS DEUTSCHLAND GMBH (DE) 2012-10-23 — — US disclosed
US-20120208811-A1 Aminopyrazole Derivative F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 — — US disclosed
US-20120208811-A1 Aminopyrazole Derivative F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 — — US disclosed
US-20120208811-A1 Aminopyrazole Derivative F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 — — US disclosed
EP-2471786-A1 AMINOPYRAZOLE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-07-04 — — EP disclosed
WO-2011016528-A1 AMINOPYRAZOLE DERIVATIVE 中外製薬株式会社 (JP) 2011-02-10 — — WO disclosed
EP-1340746-B1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives SALTIGO GMBH (DE) 2007-02-28 — — EP disclosed
US-20030225274-A1 Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2003-12-04 — — US disclosed
EP-1340746-A1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives BAYER AG (DE) 2003-09-03 — — 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 (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-20120208811-A1 Aminopyrazole Derivative FGFR1, FGFR3, FGFR4 BCL2L1 2349/4885HDAC3 270/4885HDAC4 789/4885
US-20220340590-A1 3H,4H-THIENO[2,3-D]PYRIMIDIN-4-ONE DERIVATIVES AS TRPA1 INHIBITORS TRPA1, TRPV1, TRPV3 BCL2L1 3479/4885HDAC3 1125/4885HDAC4 1580/4885
US-11858921-B2 Uracil derivatives as TRPA1 inhibitors TRPA1, TRPV1, TRPM6 BCL2L1 2627/4885HDAC3 4089/4885HDAC4 3817/4885
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL4I1, CYP3A43 BCL2L1 3550/4885HDAC3 62/4885HDAC4 232/4885
US-20030225274-A1 Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives GRHPR, HPD, HAAO BCL2L1 4434/4885HDAC3 123/4885HDAC4 873/4885

“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.

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