SCHEMBL20556023

SCHEMBL20556023

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 3/20 0.40
▸ FFAR1 O14842 2/20 0.40
▸ HTR2A P28223 2/20 0.40
▸ HTR2C P28335 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ ALB P02768 1/20 0.36
▸ IL2 P60568 1/20 0.36
▸ HTR1A P08908 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ ITGB2 P05107 2/20 0.35
▸ ICAM1 P05362 2/20 0.35
▸ ITGAL P20701 2/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MPO P05164 1/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL21870866 1.00 GPR84 (0.40) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL21870765 0.90 HTR2A (0.42) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL20555822 0.90 HTR2A (0.42) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL22603075 0.90 HTR2A (0.42) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL21870780 0.87 GPR84 (0.41) GPR84FFAR1ITGB2ICAM1ITGAL
SCHEMBL20555924 0.87 GPR84 (0.41) GPR84FFAR1ITGB2ICAM1ITGAL
SCHEMBL20555879 0.81 HTR2A (0.41) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL18135246 0.81 HTR2A (0.41) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL31427167 0.81 HTR2A (0.41) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL27273820 0.81 HTR2A (0.43) GPR84FFAR1HTR2AHTR2CHTR2B

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 3894/4885FFAR1 3292/4885HTR2A 91/4885
US-20200340024-A1 METHODS AND ENZYME CATALYSTS FOR THE SYNTHESIS OF NON-CANONICAL AMINO ACIDS AANAT, AADAT, TPH1 GPR84 3894/4885FFAR1 3292/4885HTR2A 91/4885
US-10612056-B2 Beta-substituted non-canonical amino acids AANAT, TPH1, AADAT GPR84 3415/4885FFAR1 2270/4885HTR2A 29/4885
US-20180327793-A1 METHODS AND ENZYME CATALYSTS FOR THE SYNTHESIS OF NON-CANONICAL AMINO ACIDS AANAT, AADAT, TPH1 GPR84 3894/4885FFAR1 3292/4885HTR2A 91/4885

“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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