SCHEMBL17015154

SCHEMBL17015154

COC(=O)[C@@H](NC(=O)[C@@H](C)C(C)C)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.50
CA14 Q9ULX7 2/20 0.50
BIRC2 Q13490 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 4/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 2/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL10792345 0.84 CA12 (0.52) CA12CA14BIRC2TSHRSMN1; SMN2
SCHEMBL10792348 0.84 CA12 (0.52) CA12CA14BIRC2TSHRSMN1; SMN2
SCHEMBL23384507 0.83 CA12 (0.50) CA12CA14BIRC2TSHRSMN1; SMN2
SCHEMBL27909731 0.83 CA12 (0.50) CA12CA14BIRC2TSHRSMN1; SMN2
SCHEMBL27927456 0.83 CA12 (0.50) CA12CA14BIRC2TSHRSMN1; SMN2
SCHEMBL13086357 0.81 CA12 (0.48) CA12CA14BIRC2TSHRSMN1; SMN2
SCHEMBL13645688 0.80 CA14 (0.45) CA12CA14BIRC2TSHRSMN1; SMN2
SCHEMBL2491150 0.79 DPP4 (0.50) CA12CA14BIRC2TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL30698081 0.79 CA12 (0.47) CA12CA14BIRC2TSHRSMN1; SMN2
SCHEMBL6467689 0.79 CA12 (0.47) CA12CA14BIRC2TSHRSMN1; SMN2

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-20170247324-A1 ALDEHYDE CAPTURE LIGATION TECHNOLOGY FOR SYNTHESIS OF AMIDE BONDS UNIV NEW YORK (US) 2017-08-31 US disclosed
US-9593142-B2 Aldehyde capture ligation technology for synthesis of amide bonds NEW YORK UNIVERSITY (US) 2017-03-14 US disclosed
US-20150232504-A1 ALDEHYDE CAPTURE LIGATION TECHNOLOGY FOR SYNTHESIS OF AMIDE BONDS NEW YORK UNIVERSITY (US) 2015-08-20 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 (2 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-20170247324-A1 ALDEHYDE CAPTURE LIGATION TECHNOLOGY FOR SYNTHESIS OF AMIDE BONDS ALDH3A1, ALDH2, ALDH1A1 CA12 673/4885CA14 708/4885BIRC2 902/4885
US-20150232504-A1 ALDEHYDE CAPTURE LIGATION TECHNOLOGY FOR SYNTHESIS OF AMIDE BONDS ALDH3A1, ALDH2, ALDH1A1 CA12 673/4885CA14 708/4885BIRC2 902/4885

“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.