Sugi Predict

Sugi Predict / Compounds / SCHEMBL516806

SCHEMBL516806

SCHEMBL516806

COC(=O)c1c(Cl)cc(B2OC(C)(C)C(C)(C)O2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 1/20 0.39
▸ DGAT1 O75907 1/20 0.37
▸ CA1 P00915 5/20 0.36
▸ CA2 P00918 5/20 0.36
▸ CA9 Q16790 5/20 0.36
▸ HIF1A Q16665 3/20 0.36
▸ CA12 O43570 2/20 0.35
▸ CA7 P43166 2/20 0.35
▸ CA14 Q9ULX7 2/20 0.35
▸ CA3 P07451 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CA5B Q9Y2D0 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ LIPG Q9Y5X9 2/20 0.33
▸ P4HB P07237 1/20 0.33
▸ LPL P06858 1/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL20556209 0.93 CYP3A4 (0.40) AAK1DGAT1CA1CA2CA9
SCHEMBL6892735 0.90 ROCK1 (0.37) AAK1DGAT1CA1CA2CA9
SCHEMBL23162278 0.90 AAK1 (0.39) AAK1DGAT1CA1CA2CA9
SCHEMBL20505187 0.88 AAK1 (0.37) AAK1DGAT1CA1CA2CA9
SCHEMBL17099424 0.84 AAK1 (0.38) AAK1DGAT1CA1CA2CA9
SCHEMBL24526289 0.81 AAK1 (0.36) AAK1DGAT1CA1CA2CA9
SCHEMBL22491269 0.81 CSF1R (0.38) AAK1DGAT1CA1CA2CA9
SCHEMBL515152 0.81 ROCK1 (0.40) DGAT1CA1CA2CA9HIF1A
SCHEMBL2792346 0.81 AAK1 (0.44) AAK1DGAT1CA1CA2CA9
SCHEMBL6893384 0.80 POLB (0.30) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. (US) 2023-11-16 — — US disclosed
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. (US) 2023-11-16 — — US disclosed
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. (US) 2023-11-16 — — US disclosed
US-11673887-B2 N-acyl amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2023-06-13 — — US disclosed
US-11673887-B2 N-acyl amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2023-06-13 — — US disclosed
US-11673887-B2 N-acyl amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2023-06-13 — — US disclosed
US-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 — — US disclosed
US-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 — — US disclosed
US-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 — — US disclosed
CN-115916176-A Inhibitors of alpha 2 beta 1 integrin and methods of use thereof 加利福尼亚大学董事会 2023-04-04 — — CN disclosed
US-20140073621-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-13 — — US disclosed
US-20140073621-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-13 — — US disclosed
US-20140073621-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-13 — — US disclosed
US-8633183-B2 5-alkynyl-pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-21 — — US disclosed
US-8633183-B2 5-alkynyl-pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-21 — — US disclosed
US-8633183-B2 5-alkynyl-pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-21 — — US disclosed
EP-2528903-A1 5-ALKYNYL-PYRIMIDINES Boehringer Ingelheim International GmbH (DE) 2012-12-05 — — EP disclosed
US-20120028952-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 — — US disclosed
US-20120028952-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 — — US disclosed
WO-2011092198-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 — — 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-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof ITGB1, ITGB2, ITGA2 AAK1 1895/4885DGAT1 2914/4885CA1 715/4885
US-11673887-B2 N-acyl amino acid compounds and methods of use ITGA1, ITGB1, ITGAL AAK1 1711/4885DGAT1 2134/4885CA1 2164/4885
US-20140073621-A1 5-ALKYNYL-PYRIMIDINES MKI67, CCNA1, CCNT1 AAK1 1645/4885DGAT1 3257/4885CA1 4854/4885
US-20120028952-A1 5-ALKYNYL-PYRIMIDINES MKI67, CCNA1, CCNT1 AAK1 1645/4885DGAT1 3257/4885CA1 4854/4885
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL AAK1 1711/4885DGAT1 2134/4885CA1 2164/4885

“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.