SCHEMBL130953

SCHEMBL130953

CC(C)CCOCC(F)F

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL129078 0.85 LMNA (0.35) ALDH1A1HSD17B10
SCHEMBL25636195 0.84 ALDH1A1 (0.37) ALDH1A1TDP1CA12CA1CA2
SCHEMBL25456013 0.80
SCHEMBL156867 0.80 ALDH1A1 (0.42) ALDH1A1TDP1CA12CA1CA2
SCHEMBL19316269 0.78 HSD17B10 (0.38) TDP1HSD17B10
SCHEMBL17581922 0.76
SCHEMBL42956 0.76 ALDH1A1 (0.48) ALDH1A1TDP1CA12CA1CA2
SCHEMBL15199432 0.76 ALDH1A1 (0.39) ALDH1A1TDP1CA12CA1CA2
SCHEMBL21401523 0.76 ALDH1A1 (0.39) ALDH1A1TDP1CA12CA1CA2
SCHEMBL15932529 0.76 ALDH1A1 (0.39) ALDH1A1TDP1CA12CA1CA2

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
EP-4328230-A2 AMINO ACID COMPOUNDS AND METHODS OF USE Pliant Therapeutics, Inc. (US) 2024-02-28 EP disclosed
EP-3761980-B1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS INC (US) 2023-11-29 EP disclosed
WO-2023225119-A1 STABILIZATION OF INTEGRIN INHIBITORS PLIANT THERAPEUTICS, INC. (US) 2023-11-23 WO disclosed
US-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS INC (US) 2023-08-31 US disclosed
US-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS INC (US) 2023-08-31 US disclosed
US-20230181546-A1 TREATMENT OF RESPIRATORY DISEASES WITH AMINO ACID COMPOUNDS PLIANT THERAPEUTICS INC (US) 2023-06-15 US disclosed
US-20230028658-A1 EXPANDED DOSAGE REGIMENS FOR INTEGRIN INHIBITORS PLIANT THERAPEUTICS INC (US) 2023-01-26 US disclosed
US-11560376-B2 Amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2023-01-24 US disclosed
US-11419869-B2 Dosage forms and regimens for amino acid compounds PLIANT THERAPEUTICS, INC. (US) 2022-08-23 US disclosed
WO-2021225912-A1 TREATMENT OF RESPIRATORY DISEASES WITH AMINO ACID COMPOUNDS PLIANT THERAPEUTICS, INC. (US) 2021-11-11 WO disclosed
US-20200352942-A1 DOSAGE FORMS AND REGIMENS FOR AMINO ACID COMPOUNDS PLIANT THERAPEUTICS, INC. 2020-11-12 US disclosed
US-10793564-B2 Amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2020-10-06 US disclosed
WO-2019173653-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. (US) 2019-09-12 WO disclosed
US-20190276449-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2019-09-12 US disclosed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP disclosed
US-20070082908-A1 Bicycle pyrazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-12 US disclosed
US-20070082908-A1 Bicycle pyrazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-12 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 (10 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-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGA5 ALDH1A1 3834/4885TDP1 4709/4885CA12 1033/4885
US-11419869-B2 Dosage forms and regimens for amino acid compounds ITGB6, ITGA6, ITGAV ALDH1A1 3476/4885TDP1 4657/4885CA12 1923/4885
US-10793564-B2 Amino acid compounds and methods of use ITGB6, ITGA6, ITGA5 ALDH1A1 3834/4885TDP1 4709/4885CA12 1033/4885
US-20190276449-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGA5 ALDH1A1 3834/4885TDP1 4709/4885CA12 1033/4885
US-20200352942-A1 DOSAGE FORMS AND REGIMENS FOR AMINO ACID COMPOUNDS ITGB6, ITGA6, ITGAV ALDH1A1 3476/4885TDP1 4657/4885CA12 1923/4885
US-11560376-B2 Amino acid compounds and methods of use ITGB6, ITGA6, ITGA5 ALDH1A1 3834/4885TDP1 4709/4885CA12 1033/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 ALDH1A1 580/4885TDP1 4125/4885CA12 2239/4885
US-20230028658-A1 EXPANDED DOSAGE REGIMENS FOR INTEGRIN INHIBITORS ITGB6, ITGAV, ITGA6 ALDH1A1 2861/4885TDP1 4550/4885CA12 2561/4885
US-20230181546-A1 TREATMENT OF RESPIRATORY DISEASES WITH AMINO ACID COMPOUNDS ITGA5, ITGAL, ITGB5 ALDH1A1 3323/4885TDP1 4651/4885CA12 655/4885
US-20070082908-A1 Bicycle pyrazole derivative DPP4, DPP7, DPP3 ALDH1A1 86/4885TDP1 1730/4885CA12 2496/4885

“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.