SCHEMBL20153830

SCHEMBL20153830

CNC(=O)[C@@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.49
PTGS2 P35354 7/20 0.49
MGLL Q99685 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
FAAH O00519 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 2/20 0.44
PKM P14618 2/20 0.44
HTT P42858 2/20 0.44
HSP90AA1 P07900 1/20 0.44
TLR9 Q9NR96 1/20 0.44
TP53 P04637 1/20 0.44
XBP1 P17861 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
GPR35 Q9HC97 1/20 0.44

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
SCHEMBL18019410 1.00 PTGS1 (0.49) PTGS1PTGS2MGLLSMN1; SMN2FAAH
SCHEMBL18019456 0.93 PTGS1 (0.45) PTGS1PTGS2MGLLSMN1; SMN2FAAH
SCHEMBL30865058 0.90 PTGS1 (0.49) PTGS1PTGS2MGLLSMN1; SMN2FAAH
SCHEMBL21697887 0.87 PTGS1 (0.51) PTGS1PTGS2MGLLSMN1; SMN2FAAH
SCHEMBL15189321 0.87 PTGS1 (0.55) PTGS1PTGS2MGLLSMN1; SMN2FAAH
SCHEMBL12965566 0.87 PTGS1 (0.51) PTGS1PTGS2MGLLSMN1; SMN2FAAH
SCHEMBL19514146 0.87 PTGS1 (0.55) PTGS1PTGS2MGLLSMN1; SMN2FAAH
SCHEMBL16069853 0.86 PTGS1 (0.46) PTGS1PTGS2MGLLSMN1; SMN2FAAH
SCHEMBL20670908 0.86 PTGS1 (0.46) PTGS1PTGS2MGLLSMN1; SMN2FAAH
SCHEMBL22267879 0.86 PTGS1 (0.46) PTGS1PTGS2MGLLSMN1; SMN2FAAH

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-10351593-B2 Derivatives of dolastatin 10 and uses thereof NEWBIO THERAPEUTICS, INC. (CN) 2019-07-16 US disclosed
US-10183970-B2 Cytotoxic tubulysin compounds for conjugation TUBE PHARMACEUTICALS GMBH (AT) 2019-01-22 US disclosed
US-20180141973-A1 Derivatives of Dolastatin 10 and Uses Thereof NEWBIO THERAPEUTICS, INC. (CN) 2018-05-24 US disclosed
US-20180133337-A1 CALICHEAMICIN CONSTRUCTS AND METHODS OF USE ABBVIE STEMCENTRX LLC (US) 2018-05-17 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-10351593-B2 Derivatives of dolastatin 10 and uses thereof PCSK9, DDOST, DHCR7 PTGS1 1990/4885PTGS2 2410/4885MGLL 507/4885
US-20180141973-A1 Derivatives of Dolastatin 10 and Uses Thereof PCSK9, DDOST, DHCR7 PTGS1 1990/4885PTGS2 2410/4885MGLL 507/4885
US-10183970-B2 Cytotoxic tubulysin compounds for conjugation NGLY1, TEKT1, TWF2 PTGS1 4605/4885PTGS2 4793/4885MGLL 4787/4885
US-20180133337-A1 CALICHEAMICIN CONSTRUCTS AND METHODS OF USE CALD1, CALR, CLSPN PTGS1 3125/4885PTGS2 3593/4885MGLL 4293/4885

“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.