SCHEMBL22923224

SCHEMBL22923224

CCC(C)c1ccc2cnn(C(C)(C)C)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ GAA P10253 3/20 0.36
▸ USP2 O75604 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MAPK1 P28482 2/20 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
▸ HTR1D P28221 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ HTR4 Q13639 1/20 0.34
▸ SCN10A Q9Y5Y9 1/20 0.33
▸ HDAC4 P56524 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
SCHEMBL20021709 0.84 GAA (0.36) GAAMAPK1HTR2AHTR2CHTR2B
SCHEMBL16709209 0.81 USP2 (0.40) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL16709211 0.81 USP2 (0.40) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL16709212 0.81 USP2 (0.40) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL26997284 0.77 HTR2A (0.34) USP2MAPK1HTR2AHTR2CHTR2B
SCHEMBL25696305 0.73 KMO (0.45) ALDH1A1HPGDHTR2AHTR2CKMO
SCHEMBL22357749 0.72 HTR2A (0.36) GAAMAPK1HTR2AHTR2CHTR2B
SCHEMBL19703420 0.72 BRD4 (0.46) MAPK1HTR2AHTR2CHTR2BHTR1A
SCHEMBL22357747 0.72 CYP26A1 (0.38) ALDH1A1GAAHSD17B10MAPK1KMO
SCHEMBL26596977 0.71 CHEK1 (0.41) ALDH1A1PKMHTR1AADRA2AMEN1

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 3 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-20210024516-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2021-01-28 — — 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 (3 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-11673887-B2 N-acyl amino acid compounds and methods of use ITGA1, ITGB1, ITGAL ALDH1A1 524/4885GAA 2339/4885USP2 4516/4885
US-20210024516-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL ALDH1A1 524/4885GAA 2339/4885USP2 4516/4885
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL ALDH1A1 524/4885GAA 2339/4885USP2 4516/4885

“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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