SCHEMBL20021709

SCHEMBL20021709

CC(C)c1ccc2cnn(C(C)(C)C)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HTR2A P28223 4/20 0.34
▸ HTR2C P28335 4/20 0.34
▸ HTR2B P41595 3/20 0.34
▸ HTR1A P08908 2/20 0.34
▸ ADRA2A P08913 2/20 0.34
▸ ADRA2B P18089 2/20 0.34
▸ ADRA2C P18825 2/20 0.34
▸ HTR7 P34969 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ HTR1D P28221 1/20 0.34
▸ HTR4 Q13639 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PDE1C Q14123 1/20 0.33
▸ MAPK1 P28482 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
SCHEMBL26997284 0.84 HTR2A (0.34) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL22923224 0.84 ALDH1A1 (0.36) GAAHTR2AHTR2CHTR2BHTR1A
SCHEMBL22357749 0.83 HTR2A (0.36) GAATDP1HTR2AHTR2CHTR2B
SCHEMBL22357747 0.80 CYP26A1 (0.38) GAATDP1SMN1; SMN2NPSR1NPC1
SCHEMBL13533133 0.77 HTR2A (0.40) GAASMN1; SMN2HTR2AHTR2CHTR2B
SCHEMBL10080931 0.77 NOTUM (0.42) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL25696305 0.77 KMO (0.45) TDP1SMN1; SMN2HTR2AHTR2CMEN1
SCHEMBL22152270 0.76 HTR2A (0.36) GAATDP1SMN1; SMN2HTR2AHTR2C
SCHEMBL26596977 0.76 CHEK1 (0.41) HTR1AADRA2AMEN1KMT2ALMNA
SCHEMBL13677504 0.76 KMO (0.41) SMN1; SMN2HTR2AHTR2CHTR2BHTR1A

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 5 patents. 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-11673887-B2 N-acyl amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2023-06-13 — — US disclosed
US-10604520-B2 N-acyl amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2020-03-31 — — US disclosed
US-20180093984-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2018-04-05 — — US disclosed
US-20180093984-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2018-04-05 — — 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 (4 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-10604520-B2 N-acyl amino acid compounds and methods of use ITGA1, ITGB1, ITGAL GAA 2339/4885TDP1 4771/4885SMN1; SMN2 2318/4885
US-11673887-B2 N-acyl amino acid compounds and methods of use ITGA1, ITGB1, ITGAL GAA 2339/4885TDP1 4771/4885SMN1; SMN2 2318/4885
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL GAA 2339/4885TDP1 4771/4885SMN1; SMN2 2318/4885
US-20180093984-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL GAA 2339/4885TDP1 4771/4885SMN1; SMN2 2318/4885

“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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