SCHEMBL20555957

SCHEMBL20555957

CCC(c1c[nH]c2cccc(C)c12)C(N)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 3/20 0.42
▸ ITGB2 P05107 2/20 0.37
▸ ICAM1 P05362 2/20 0.37
▸ ITGAL P20701 2/20 0.37
▸ MAPT P10636 4/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MPO P05164 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ PMP22 Q01453 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ GAA P10253 4/20 0.35
▸ POLB P06746 3/20 0.35
▸ RECQL P46063 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ THRB P10828 1/20 0.35

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
SCHEMBL21870781 1.00 GPR84 (0.42) GPR84ITGB2ICAM1ITGALMAPT
SCHEMBL22603078 1.00 GPR84 (0.42) GPR84ITGB2ICAM1ITGALMAPT
SCHEMBL20555924 0.90 GPR84 (0.41) GPR84ITGB2ICAM1ITGALMAPT
SCHEMBL21870780 0.90 GPR84 (0.41) GPR84ITGB2ICAM1ITGALMAPT
SCHEMBL20555822 0.86 HTR2A (0.42) GPR84ITGB2ICAM1ITGALMAPT
SCHEMBL21870765 0.86 HTR2A (0.42) GPR84ITGB2ICAM1ITGALMAPT
SCHEMBL22603075 0.86 HTR2A (0.42) GPR84ITGB2ICAM1ITGALMAPT
SCHEMBL20555820 0.83 GPR84 (0.42) GPR84ITGB2ICAM1ITGALMAPT
SCHEMBL21870777 0.83 GPR84 (0.42) GPR84ITGB2ICAM1ITGALMAPT
SCHEMBL21870764 0.80 GPR84 (0.59) GPR84MAPTMEN1KMT2AKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024731-B2 Methods and enzyme catalysts for the synthesis of non-canonical amino acids CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2024-07-02 — — US disclosed
US-20200340024-A1 METHODS AND ENZYME CATALYSTS FOR THE SYNTHESIS OF NON-CANONICAL AMINO ACIDS CALIFORNIA INSTITUTE OF TECHNOLOGY 2020-10-29 — — US disclosed
US-10612056-B2 Beta-substituted non-canonical amino acids CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2020-04-07 — — US disclosed
US-20180327793-A1 METHODS AND ENZYME CATALYSTS FOR THE SYNTHESIS OF NON-CANONICAL AMINO ACIDS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-11-15 — — 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-12024731-B2 Methods and enzyme catalysts for the synthesis of non-canonical amino acids AANAT, AADAT, TPH1 GPR84 3894/4885ITGB2 4807/4885ICAM1 4847/4885
US-20200340024-A1 METHODS AND ENZYME CATALYSTS FOR THE SYNTHESIS OF NON-CANONICAL AMINO ACIDS AANAT, AADAT, TPH1 GPR84 3894/4885ITGB2 4807/4885ICAM1 4847/4885
US-10612056-B2 Beta-substituted non-canonical amino acids AANAT, TPH1, AADAT GPR84 3415/4885ITGB2 4297/4885ICAM1 4746/4885
US-20180327793-A1 METHODS AND ENZYME CATALYSTS FOR THE SYNTHESIS OF NON-CANONICAL AMINO ACIDS AANAT, AADAT, TPH1 GPR84 3894/4885ITGB2 4807/4885ICAM1 4847/4885

“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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