SCHEMBL2534501

SCHEMBL2534501

C=C1CC(C(=O)OCC(C)(C)C)N(C(=O)O)C1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 2/20 0.32
FKBP1A P62942 3/20 0.31
MIF P14174 1/20 0.30

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
SCHEMBL27159103 0.87 FKBP1A (0.33) FKBP1AMIF
SCHEMBL1974403 0.84 MMP2 (0.36) NR1D1FKBP1A
SCHEMBL752424 0.82 MAPK1 (0.36)
SCHEMBL27158567 0.81 FKBP1A (0.32) NR1D1FKBP1A
SCHEMBL22648657 0.79 MMP2 (0.41)
SCHEMBL201027 0.79 MMP2 (0.41)
SCHEMBL27158695 0.76 FKBP1A (0.34) FKBP1AMIF
SCHEMBL22654848 0.76 FKBP1A (0.37) FKBP1A
SCHEMBL7547847 0.75 FKBP1A (0.46) FKBP1A
SCHEMBL4942063 0.72 ACE (0.32)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180134717-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF SPIROGEN LIMITED (GB) 2018-05-17 US disclosed
EP-2662095-A1 Pyrrolobenzodiazepines and conjugates thereof Spirogen Sàrl (CH) 2013-11-13 EP disclosed
EP-2528625-B1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF SPIROGEN SARL (CH) 2013-07-10 EP disclosed
US-20130028917-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF SPIROGEN DEVELOPMENTS SÀRL (CH) 2013-01-31 US disclosed
US-20110256157-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF SPIROGEN LIMITED (GB) 2011-10-20 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 (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-20110256157-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF HDAC10, PBDC1, PDCD10 NR1D1 182/4885FKBP1A 1020/4885MIF 3860/4885
US-20180134717-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF HDAC10, PBDC1, PDCD10 NR1D1 182/4885FKBP1A 1020/4885MIF 3860/4885
US-20130028917-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF HDAC10, PBDC1, PDCD10 NR1D1 182/4885FKBP1A 1020/4885MIF 3860/4885

“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.