SCHEMBL21870872

SCHEMBL21870872

Cc1cccc2c([C@H](C)[C@H](N)C(=O)O)c[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS2 Q07890 1/20 0.49
BRPF1 P55201 1/20 0.49
NR4A2 P43354 1/20 0.46
TRIM24 O15164 1/20 0.43
TRIM33 Q9UPN9 1/20 0.43
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
HTR2A P28223 1/20 0.41
CNR2 P34972 1/20 0.41
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
PARP14 Q460N5 1/20 0.39
AR P10275 2/20 0.39
HAT1 O14929 2/20 0.37
EP300 Q09472 2/20 0.37

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
SCHEMBL31000695 1.00 SOS2 (0.49) SOS2BRPF1NR4A2TRIM24TRIM33
SCHEMBL20556017 1.00 SOS2 (0.49) SOS2BRPF1NR4A2TRIM24TRIM33
SCHEMBL20556081 0.83 SOS2 (0.46) SOS2BRPF1NR4A2TRIM24TRIM33
SCHEMBL31000552 0.83 ALDH1A1 (0.52) POLBRAB9AHTR2ACNR2MAPT
SCHEMBL21870868 0.83 SOS2 (0.46) SOS2BRPF1NR4A2TRIM24TRIM33
SCHEMBL21870848 0.81 SOS2 (0.44) SOS2BRPF1NR4A2TRIM24TRIM33
SCHEMBL20555789 0.81 SOS2 (0.44) SOS2BRPF1NR4A2TRIM24TRIM33
SCHEMBL17746917 0.79 BRPF1 (0.50) SOS2BRPF1NR4A2TRIM24TRIM33
SCHEMBL27257007 0.79 SOS2 (0.42) SOS2BRPF1NR4A2TRIM24TRIM33
SCHEMBL195995 0.78 GPR84 (0.53) POLBHTR2AMAPTSMN1; SMN2ALDH1A1

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-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

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-12024731-B2 Methods and enzyme catalysts for the synthesis of non-canonical amino acids AANAT, AADAT, TPH1 SOS2 3079/4885BRPF1 4544/4885NR4A2 4680/4885
US-20200340024-A1 METHODS AND ENZYME CATALYSTS FOR THE SYNTHESIS OF NON-CANONICAL AMINO ACIDS AANAT, AADAT, TPH1 SOS2 3079/4885BRPF1 4544/4885NR4A2 4680/4885
US-10612056-B2 Beta-substituted non-canonical amino acids AANAT, TPH1, AADAT SOS2 1894/4885BRPF1 4524/4885NR4A2 4191/4885

“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.