SCHEMBL12245289

SCHEMBL12245289

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SSTR3 P32745 1/20 0.53
▸ CALCRL Q16602 1/20 0.49
▸ LTA4H P09960 1/20 0.48
▸ ECE1 P42892 1/20 0.44
▸ MMP3 P08254 2/20 0.43
▸ SIRT1 Q96EB6 4/20 0.43
▸ SIRT2 Q8IXJ6 3/20 0.43
▸ PLG P00747 1/20 0.42
▸ MMP1 P03956 1/20 0.42
▸ KDM1A O60341 3/20 0.42
▸ MAOA P21397 2/20 0.42
▸ KDM1B Q8NB78 1/20 0.42
▸ RCOR1 Q9UKL0 1/20 0.42
▸ SIRT3 Q9NTG7 2/20 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
SCHEMBL26439273 0.91 SSTR3 (0.53) SSTR3CALCRLLTA4HECE1MMP3
SCHEMBL22010347 0.91 SSTR3 (0.51) SSTR3CALCRLLTA4HECE1MMP3
SCHEMBL19340304 0.89 SSTR3 (0.51) SSTR3CALCRLLTA4HECE1MMP3
SCHEMBL17706674 0.88 SSTR3 (0.55) SSTR3CALCRLLTA4HECE1MMP3
SCHEMBL14821040 0.88 SSTR3 (0.55) SSTR3CALCRLLTA4HECE1MMP3
SCHEMBL18494988 0.88 SSTR3 (0.55) SSTR3CALCRLLTA4HECE1MMP3
SCHEMBL14872058 0.88 SSTR3 (0.55) SSTR3CALCRLLTA4HECE1MMP3
SCHEMBL16479322 0.87 SSTR3 (0.53) SSTR3CALCRLLTA4HMMP3SIRT1
SCHEMBL22096459 0.87 SSTR3 (0.51) SSTR3CALCRLLTA4HMMP3SIRT1
SCHEMBL24101424 0.85 SSTR3 (0.54) SSTR3CALCRLLTA4HMMP3PLG

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 80 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11779650-B2 Pyrrolobenzodiazepine-antibody conjugates MEDIMMUNE LIMITED (GB) 2023-10-10 — — US disclosed
US-11771775-B2 Pyrrolobenzodiazepine-antibody conjugates MEDIMMUNE LIMITED (GB) 2023-10-03 — — US disclosed
US-11702473-B2 Site-specific antibody-drug conjugates MEDIMMUNE LIMITED (GB) 2023-07-18 — — US disclosed
US-11690918-B2 Pyrrolobenzodiazepine-anti-CD22 antibody conjugates MEDIMMUNE LIMITED (GB) 2023-07-04 — — US disclosed
US-11692043-B2 Peptidomimetic compounds and antibody-drug conjugates thereof MEDIMMUNE LIMITED (GB) 2023-07-04 — — US disclosed
US-11572349-B2 Selective sulfonation of benzodiazepine derivatives IMMUNOGEN, INC. (US) 2023-02-07 — — US disclosed
US-20220016261-A1 PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES OWL ROCK OPPORTUNISTIC MASTER FUND I, L.P. 2022-01-20 — — US disclosed
US-11033634-B2 Light chain variable regions ABBVIE STEMCENTRX LLC (US) 2021-06-15 — — US disclosed
US-20210137940-A1 PYRROLOBENZODIAZEPINE-ANTI-PSMA ANTIBODY CONJUGATES OWL ROCK OPPORTUNISTIC MASTER FUND I, L.P. 2021-05-13 — — US disclosed
US-20210113587-A1 PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES OWL ROCK OPPORTUNISTIC MASTER FUND I, L.P. 2021-04-22 — — US disclosed
US-20170267778-A1 HUMANIZED ANTI-TN-MUC1 ANTIBODIES AND THEIR CONJUGATES MEDIMMUNE LIMITED (GB) 2017-09-21 — — US disclosed
US-9764042-B1 Methods of making DLL3 antibody drug conjugates ABBVIE STEMCENTRX LLC (US) 2017-09-19 — — US disclosed
US-9713647-B2 Pyrrolobenzodiazepines and targeted conjugates SEATTLE GENETICS, INC. (US) 2017-07-25 — — US disclosed
US-9707301-B2 Pyrrolobenzodiazepines and targeted conjugates SEATTLE GENETICS, INC. (US) 2017-07-18 — — US disclosed
US-9676850-B2 Anti SEZ6 antibodies and methods of use ABBVIE STEMCENTRX LLC (US) 2017-06-13 — — 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-9562049-B2 Pyrrolobenzodiazepines and conjugates thereof MEDIMMUNE LIMITED (GB) 2017-02-07 — — US disclosed
US-9555125-B2 Benzodiazepines and conjugates thereof IMMUNOGEN, INC. (US) 2017-01-31 — — 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 (13 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-11690918-B2 Pyrrolobenzodiazepine-anti-CD22 antibody conjugates CD22, CD2, CD2BP2 SSTR3 2651/4885CALCRL 3676/4885LTA4H 3222/4885
US-20170143846-A1 TARGETED PYRROLOBENZODIAZAPINE CONJUGATES QDPR, SBDS, DNPEP SSTR3 1796/4885CALCRL 4710/4885LTA4H 2114/4885
US-11779650-B2 Pyrrolobenzodiazepine-antibody conjugates IL2RA, CD4, IL2 SSTR3 2193/4885CALCRL 3939/4885LTA4H 2766/4885
US-11033634-B2 Light chain variable regions IGLV6-57, FCGR2A, FCGR3B SSTR3 3114/4885CALCRL 3003/4885LTA4H 2174/4885
US-20210113587-A1 PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES CD47, CD4, IL2RA SSTR3 1751/4885CALCRL 3718/4885LTA4H 1762/4885
US-20110256157-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF HDAC10, PBDC1, PDCD10 SSTR3 2455/4885CALCRL 4837/4885LTA4H 4219/4885
US-20210137940-A1 PYRROLOBENZODIAZEPINE-ANTI-PSMA ANTIBODY CONJUGATES PSMA2, PSMA7, FOLH1 SSTR3 883/4885CALCRL 2461/4885LTA4H 3602/4885
US-11572349-B2 Selective sulfonation of benzodiazepine derivatives GABRA2, GABRA4, GABRA1 SSTR3 1428/4885CALCRL 3719/4885LTA4H 3985/4885
US-20170267778-A1 HUMANIZED ANTI-TN-MUC1 ANTIBODIES AND THEIR CONJUGATES MUC1, CD44, VIM SSTR3 484/4885CALCRL 3186/4885LTA4H 1668/4885
US-11771775-B2 Pyrrolobenzodiazepine-antibody conjugates CD79B, BCL6B, BCL6 SSTR3 1982/4885CALCRL 4405/4885LTA4H 4384/4885
US-11702473-B2 Site-specific antibody-drug conjugates SBDS, DCTD, DRD1 SSTR3 2484/4885CALCRL 4871/4885LTA4H 2319/4885
US-20220016261-A1 PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES PDCD10, CD79B, SBDS SSTR3 1982/4885CALCRL 4602/4885LTA4H 3609/4885
US-11692043-B2 Peptidomimetic compounds and antibody-drug conjugates thereof DNPEP, LNPEP, VIP SSTR3 228/4885CALCRL 1443/4885LTA4H 3290/4885

“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