SCHEMBL19975822

SCHEMBL19975822

CC(C)(CC(N)=O)c1ccc(N2C(=O)CC(S)C2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 2/20 0.56
▸ KMT2A Q03164 1/20 0.45
▸ MT-CO2 P00403 2/20 0.40
▸ ALOX5 P09917 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL23351977 0.88 ADAM17 (0.54) ADAM17KMT2AMT-CO2ALOX5ALDH1A1
SCHEMBL18499737 0.86 KMT2A (0.46) ADAM17KMT2AMT-CO2ALOX5ALDH1A1
SCHEMBL18499709 0.84 MT-CO2 (0.45) ADAM17KMT2AMT-CO2ALOX5ALDH1A1
SCHEMBL18626054 0.83 KMT2A (0.55) KMT2AALDH1A1TP53MAPTHTT
SCHEMBL18626051 0.83 GAA (0.45) ADAM17KMT2AMT-CO2ALOX5ALDH1A1
SCHEMBL20621743 0.80 ADAM17 (0.61) ADAM17KMT2A
SCHEMBL20653913 0.77 KMT2A (0.46) KMT2AALDH1A1TP53MAPTHPGD
SCHEMBL18499698 0.76 MGLL (0.47) ALDH1A1MAPTHPGDHTT
SCHEMBL19156273 0.74 KMT2A (0.44) ADAM17KMT2AMT-CO2ALOX5ALDH1A1
SCHEMBL21549744 0.73 MT-CO2 (0.42) ADAM17KMT2AMT-CO2ALOX5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11690918-B2 Pyrrolobenzodiazepine-anti-CD22 antibody conjugates MEDIMMUNE LIMITED (GB) 2023-07-04 — — US disclosed
US-20220016261-A1 PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES OWL ROCK OPPORTUNISTIC MASTER FUND I, L.P. 2022-01-20 — — US disclosed
US-20210137940-A1 PYRROLOBENZODIAZEPINE-ANTI-PSMA ANTIBODY CONJUGATES OWL ROCK OPPORTUNISTIC MASTER FUND I, L.P. 2021-05-13 — — US disclosed
US-20200306385-A1 PYRROLOBENZODIAZEPINE-ANTI-CD22 ANTIBODY CONJUGATES OWL ROCK OPPORTUNISTIC MASTER FUND I, L.P. 2020-10-01 — — US disclosed
US-20190336614-A1 TARGETED PYRROLOBENZODIAZAPINE CONJUGATES SEAGEN INC. 2019-11-07 — — US disclosed
US-20180125994-A1 SITE-SPECIFIC ANTIBODY-DRUG CONJUGATES MEDIMMUNE LIMITED (GB) 2018-05-10 — — US disclosed
US-9919056-B2 Pyrrolobenzodiazepine-anti-CD22 antibody conjugates ADC THERAPEUTICS S.A. (CH) 2018-03-20 — — 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 (6 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 ADAM17 692/4885KMT2A 427/4885MT-CO2 4302/4885
US-20190336614-A1 TARGETED PYRROLOBENZODIAZAPINE CONJUGATES QDPR, SBDS, DNPEP ADAM17 1373/4885KMT2A 2477/4885MT-CO2 4193/4885
US-20210137940-A1 PYRROLOBENZODIAZEPINE-ANTI-PSMA ANTIBODY CONJUGATES PSMA2, PSMA7, FOLH1 ADAM17 951/4885KMT2A 1144/4885MT-CO2 4706/4885
US-20200306385-A1 PYRROLOBENZODIAZEPINE-ANTI-CD22 ANTIBODY CONJUGATES CD22, CD2, CD2BP2 ADAM17 692/4885KMT2A 427/4885MT-CO2 4302/4885
US-20180125994-A1 SITE-SPECIFIC ANTIBODY-DRUG CONJUGATES FOLH1, PSMA2, DNPEP ADAM17 1402/4885KMT2A 844/4885MT-CO2 3873/4885
US-20220016261-A1 PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES PDCD10, CD79B, SBDS ADAM17 2335/4885KMT2A 1216/4885MT-CO2 3953/4885

“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.

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