SCHEMBL16634928

SCHEMBL16634928

CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)C(=O)Nc1ccc(B(O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.53
EPHX2 P34913 1/20 0.42
KMT2A Q03164 2/20 0.40
PIN1 Q13526 1/20 0.40
MDM2 Q00987 1/20 0.38
MDM4 O15151 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL19280962 0.89 CASP3 (0.54) CASP3EPHX2KMT2APIN1MDM2
SCHEMBL29415585 0.88 CASP3 (0.53) CASP3EPHX2KMT2APIN1
SCHEMBL21731443 0.88 CASP3 (0.53) CASP3EPHX2KMT2APIN1
SCHEMBL22283287 0.88 CASP3 (0.53) CASP3EPHX2KMT2APIN1
SCHEMBL16285132 0.88 CASP3 (0.53) CASP3EPHX2KMT2APIN1
SCHEMBL15482107 0.88 CASP3 (0.53) CASP3EPHX2KMT2APIN1
SCHEMBL29352081 0.88 CASP3 (0.53) CASP3EPHX2KMT2APIN1
SCHEMBL29677937 0.87 CASP3 (0.52) CASP3EPHX2KMT2APIN1
SCHEMBL16646584 0.87 CASP3 (0.52) CASP3EPHX2KMT2APIN1
SCHEMBL20880298 0.85 CASP3 (0.51) CASP3EPHX2KMT2APIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702473-B2 Site-specific antibody-drug conjugates MEDIMMUNE LIMITED (GB) 2023-07-18 US disclosed
CN-108093640-B Site-specific antibody-drug conjugates ADC治疗股份有限公司 2022-05-17 CN disclosed
US-20200399365-A1 SITE-SPECIFIC ANTIBODY-DRUG CONJUGATES OWL ROCK OPPORTUNISTIC MASTER FUND I, L.P. 2020-12-24 US disclosed
EP-3054989-B1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MEDIMMUNE LTD (GB) 2019-03-27 EP disclosed
EP-3054983-B1 PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES MEDIMMUNE LTD (GB) 2019-03-20 EP disclosed
EP-3054986-B1 PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES MEDIMMUNE LTD (GB) 2019-03-20 EP disclosed
EP-3054985-B1 PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES MEDIMMUNE LTD (GB) 2018-12-26 EP disclosed
US-20180303953-A1 SITE-SPECIFIC ANTIBODY-DRUG CONJUGATES ADC THERAPEUTICS S.A. (CH) 2018-10-25 US disclosed
US-10017580-B2 Humanized anti-Tn-MUC1 antibodies and their conjugates ADC Therpeutics S.A. (CH) 2018-07-10 US disclosed
US-10010624-B2 Pyrrolobenzodiazepine-antibody conjugates MEDIMMUNE LIMITED (GB) 2018-07-03 US disclosed
EP-3054984-A1 PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES MEDIMMUNE LIMITED (GB) 2016-08-17 EP disclosed
EP-3054983-A1 PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES MEDIMMUNE LIMITED (GB) 2016-08-17 EP disclosed
EP-3054989-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MedImmune Limited (GB) 2016-08-17 EP disclosed
EP-3054985-A1 PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES MEDIMMUNE LIMITED (GB) 2016-08-17 EP disclosed
WO-2015159076-A1 HUMANIZED ANTI-TN-MUC1 ANTIBODIES AND THEIR CONJUGATES CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-10-22 WO disclosed
WO-2015052321-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF SPIROGEN SÀRL (CH) 2015-04-16 WO disclosed
WO-2015052534-A1 PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES SPIROGEN SÀRL (CH) 2015-04-16 WO disclosed
WO-2015052535-A1 PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES SPIROGEN SÀRL (CH) 2015-04-16 WO disclosed
WO-2015052533-A1 PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES SPIROGEN SÀRL (CH) 2015-04-16 WO disclosed
WO-2015052532-A1 PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES SPIROGEN SÀRL (CH) 2015-04-16 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-20200399365-A1 SITE-SPECIFIC ANTIBODY-DRUG CONJUGATES SBDS, DCTD, DRD1 CASP3 3788/4885EPHX2 897/4885KMT2A 363/4885
US-20180303953-A1 SITE-SPECIFIC ANTIBODY-DRUG CONJUGATES ERBB2, SBDS, CD22 CASP3 3706/4885EPHX2 1716/4885KMT2A 695/4885
US-10010624-B2 Pyrrolobenzodiazepine-antibody conjugates PSMA2, PSMA7, PSMA1 CASP3 3108/4885EPHX2 2219/4885KMT2A 478/4885
US-11702473-B2 Site-specific antibody-drug conjugates SBDS, DCTD, DRD1 CASP3 3788/4885EPHX2 897/4885KMT2A 363/4885
US-10017580-B2 Humanized anti-Tn-MUC1 antibodies and their conjugates MUC1, CD44, VIM CASP3 3278/4885EPHX2 4176/4885KMT2A 1619/4885

“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.