SCHEMBL17015153

SCHEMBL17015153

CC(C)C[C@H](NC(=O)[C@@H](C)Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
MAPT P10636 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
ATM Q13315 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
BIRC2 Q13490 1/20 0.54
REN P00797 3/20 0.53
MME P08473 2/20 0.53
ALDH1A1 P00352 1/20 0.53
THRB P10828 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP3A4 P08684 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL15223640 1.00 POLB (0.59) POLBMAPTNPSR1ATMTDP1
SCHEMBL15223643 0.91 ALDH1A1 (0.64) POLBMAPTNPSR1ATMTDP1
SCHEMBL15223637 0.90 ALDH1A1 (0.60) POLBMAPTNPSR1ATMTDP1
SCHEMBL10880443 0.89 POLB (0.58) POLBMAPTNPSR1ATMTDP1
SCHEMBL15222238 0.88 POLB (0.57) POLBMAPTNPSR1ATMTDP1
SCHEMBL9813890 0.88 POLB (0.57) POLBMAPTNPSR1ATMTDP1
SCHEMBL15223599 0.87 ALDH1A1 (0.69) BIRC2MMEALDH1A1THRBCYP2C9
SCHEMBL10880715 0.87 REN (0.70) POLBMAPTNPSR1ATMTDP1
SCHEMBL25533190 0.87 POLB (0.56) POLBMAPTNPSR1ATMTDP1
SCHEMBL10878382 0.86 MMP8 (0.57) POLBMAPTNPSR1ATMTDP1

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 POLB 887/4885MAPT 4097/4885NPSR1 2609/4885
US-20150232504-A1 ALDEHYDE CAPTURE LIGATION TECHNOLOGY FOR SYNTHESIS OF AMIDE BONDS ALDH3A1, ALDH2, ALDH1A1 POLB 887/4885MAPT 4097/4885NPSR1 2609/4885

“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.