SCHEMBL2561561

SCHEMBL2561561

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.49
PTGS2 P35354 7/20 0.49
FAAH O00519 6/20 0.41
MGLL Q99685 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSP90AA1 P07900 1/20 0.41
TLR9 Q9NR96 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
XBP1 P17861 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GPR35 Q9HC97 1/20 0.41

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
SCHEMBL2560238 1.00 PTGS1 (0.49) PTGS1PTGS2FAAHMGLLSMN1; SMN2
SCHEMBL2560233 1.00 PTGS1 (0.49) PTGS1PTGS2FAAHMGLLSMN1; SMN2
SCHEMBL12285559 1.00 PTGS1 (0.49) PTGS1PTGS2FAAHMGLLSMN1; SMN2
SCHEMBL18774100 1.00 PTGS1 (0.49) PTGS1PTGS2FAAHMGLLSMN1; SMN2
SCHEMBL30902857 0.92 PTGS1 (0.44) PTGS1PTGS2FAAHMGLLSMN1; SMN2
SCHEMBL18937810 0.91 PTGS1 (0.46) PTGS1PTGS2FAAHMGLLSMN1; SMN2
SCHEMBL22267879 0.91 PTGS1 (0.46) PTGS1PTGS2FAAHMGLLSMN1; SMN2
SCHEMBL20670908 0.91 PTGS1 (0.46) PTGS1PTGS2FAAHMGLLSMN1; SMN2
SCHEMBL16069853 0.91 PTGS1 (0.46) PTGS1PTGS2FAAHMGLLSMN1; SMN2
SCHEMBL26149732 0.91 PTGS1 (0.46) PTGS1PTGS2FAAHMGLLSMN1; 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4039280-A1 TARGETED PYRROLOBENZODIAZEPINE CONJUGATES Seagen Inc. (US) 2022-08-10 EP disclosed
EP-2558127-B1 TARGETED PYRROLOBENZODIAZEPINE CONJUGATES SEAGEN INC (US) 2022-01-19 EP disclosed
US-10561739-B2 Targeted pyrrolobenzodiazapine conjugates SEATTLE GENETICS INC. (US) 2020-02-18 US disclosed
US-10561739-B2 Targeted pyrrolobenzodiazapine conjugates SEATTLE GENETICS INC. (US) 2020-02-18 US disclosed
US-20190336614-A1 TARGETED PYRROLOBENZODIAZAPINE CONJUGATES SEAGEN INC. 2019-11-07 US disclosed
US-20170143846-A1 TARGETED PYRROLOBENZODIAZAPINE CONJUGATES SPIROGEN LIMITED (GB) 2017-05-25 US disclosed
US-20170143846-A1 TARGETED PYRROLOBENZODIAZAPINE CONJUGATES SPIROGEN LIMITED (GB) 2017-05-25 US disclosed
US-9592240-B2 Targeted pyrrolobenzodiazapine conjugates SEATTLE GENETICS INC. (US) 2017-03-14 US disclosed
US-9592240-B2 Targeted pyrrolobenzodiazapine conjugates SEATTLE GENETICS INC. (US) 2017-03-14 US disclosed
US-20160129013-A1 TARGETED PYRROLOBENZODIAZAPINE CONJUGATES SEAGEN INC. 2016-05-12 US disclosed
US-20160129013-A1 TARGETED PYRROLOBENZODIAZAPINE CONJUGATES SEAGEN INC. 2016-05-12 US disclosed
US-9242013-B2 Targeted pyrrolobenzodiazapine conjugates SEATTLE GENETICS INC. (US) 2016-01-26 US disclosed
US-9242013-B2 Targeted pyrrolobenzodiazapine conjugates SEATTLE GENETICS INC. (US) 2016-01-26 US disclosed
EP-2558127-A1 TARGETED PYRROLOBENZODIAZAPINE CONJUGATES Seattle Genetics, Inc. (US) 2013-02-20 EP disclosed
US-20130028919-A1 TARGETED PYRROLOBENZODIAZAPINE CONJUGATES SPIROGEN DEVELOPMENTS SÀRL (CH) 2013-01-31 US disclosed
US-20130028919-A1 TARGETED PYRROLOBENZODIAZAPINE CONJUGATES SPIROGEN DEVELOPMENTS SÀRL (CH) 2013-01-31 US disclosed
WO-2011130613-A1 TARGETED PYRROLOBENZODIAZAPINE CONJUGATES SEATTLE GENETICS, INC. (US) 2011-10-20 WO disclosed
WO-2011130613-A1 TARGETED PYRROLOBENZODIAZAPINE CONJUGATES SEATTLE GENETICS, INC. (US) 2011-10-20 WO 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 (5 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-20160129013-A1 TARGETED PYRROLOBENZODIAZAPINE CONJUGATES QDPR, SBDS, DNPEP PTGS1 4460/4885PTGS2 4243/4885FAAH 461/4885
US-10561739-B2 Targeted pyrrolobenzodiazapine conjugates QDPR, SBDS, DNPEP PTGS1 4460/4885PTGS2 4243/4885FAAH 461/4885
US-20170143846-A1 TARGETED PYRROLOBENZODIAZAPINE CONJUGATES QDPR, SBDS, DNPEP PTGS1 4460/4885PTGS2 4243/4885FAAH 461/4885
US-20190336614-A1 TARGETED PYRROLOBENZODIAZAPINE CONJUGATES QDPR, SBDS, DNPEP PTGS1 4460/4885PTGS2 4243/4885FAAH 461/4885
US-20130028919-A1 TARGETED PYRROLOBENZODIAZAPINE CONJUGATES QDPR, SBDS, DNPEP PTGS1 4460/4885PTGS2 4243/4885FAAH 461/4885

“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.