SCHEMBL19340304

SCHEMBL19340304

CCC(C)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccc(COC=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SSTR3 P32745 1/20 0.51
▸ CALCRL Q16602 1/20 0.46
▸ LTA4H P09960 1/20 0.44
▸ MMP3 P08254 1/20 0.43
▸ F2 P00734 2/20 0.42
▸ ECE1 P42892 1/20 0.41
▸ SIRT2 Q8IXJ6 7/20 0.41
▸ SIRT1 Q96EB6 6/20 0.41
▸ SIRT3 Q9NTG7 3/20 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
SCHEMBL20133503 0.92 MMP3 (0.47) SSTR3CALCRLLTA4HMMP3SIRT2
SCHEMBL22010347 0.92 SSTR3 (0.51) SSTR3CALCRLLTA4HMMP3ECE1
SCHEMBL12245289 0.89 SSTR3 (0.53) SSTR3CALCRLLTA4HMMP3ECE1
SCHEMBL26439273 0.87 SSTR3 (0.53) SSTR3CALCRLLTA4HMMP3ECE1
SCHEMBL21474554 0.81 SSTR3 (0.55) SSTR3CALCRLLTA4HMMP3ECE1
SCHEMBL25475432 0.81 SSTR3 (0.54) SSTR3CALCRLLTA4HMMP3ECE1
SCHEMBL19231508 0.81 SSTR3 (0.54) SSTR3CALCRLLTA4HMMP3F2
SCHEMBL19403504 0.81 SSTR3 (0.54) SSTR3CALCRLLTA4HMMP3ECE1
SCHEMBL25062089 0.79 MMP2 (0.53) MMP3
SCHEMBL23106089 0.79 F2 (0.47) SSTR3F2

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-10799596-B2 Pyrrolobenzodiazepine-antibody conjugates ADC THERAPEUTICS S.A. (CH) 2020-10-13 — — US disclosed
US-10780096-B2 Pyrrolobenzodiazepine-antibody conjugates ADC THERAPEUTICS SA (CH) 2020-09-22 — — US disclosed
US-20180193480-A1 PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES MEDIMMUNE LIMITED (GB) 2018-07-12 — — US disclosed
US-20170258934-A1 PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES OWL ROCK OPPORTUNISTIC MASTER FUND I, L.P. 2017-09-14 — — 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-20170258934-A1 PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES IL2RA, CD2, CD4 SSTR3 1560/4885CALCRL 4116/4885LTA4H 2083/4885
US-10780096-B2 Pyrrolobenzodiazepine-antibody conjugates IL2RA, CD2, CD4 SSTR3 1560/4885CALCRL 4116/4885LTA4H 2083/4885
US-10799596-B2 Pyrrolobenzodiazepine-antibody conjugates IL2RA, CD4, IL2 SSTR3 2193/4885CALCRL 3939/4885LTA4H 2766/4885
US-20180193480-A1 PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES IL2RA, CD4, IL2 SSTR3 2193/4885CALCRL 3939/4885LTA4H 2766/4885

“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.

Send feedback