SCHEMBL29548835

SCHEMBL29548835

COC(=O)[C@@H]1C[C@H](NCc2ccc(-c3ccccc3)cc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MMP2 P08253 2/20 0.44
MCL1 Q07820 10/20 0.42
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
USP30 Q70CQ3 1/20 0.40
NR1H2 P55055 1/20 0.40
UCHL1 P09936 1/20 0.40
MAPT P10636 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
SCHEMBL24538202 0.94 MMP2 (0.47) KMT2AMMP2MCL1NR1H2
SCHEMBL12166250 0.94 MMP2 (0.47) KMT2AMMP2MCL1NR1H2
SCHEMBL2824741 0.94 MMP2 (0.47) KMT2AMMP2MCL1NR1H2
SCHEMBL13841901 0.94 MMP2 (0.47) KMT2AMMP2MCL1NR1H2
SCHEMBL29548635 0.92 ACE (0.45) KMT2AMCL1MEN1RAB9AUSP30
SCHEMBL29549021 0.89 CYP3A4 (0.46) CYP3A4KMT2AKDM4EMMP2NR1H2
SCHEMBL21659108 0.88 NPFFR1 (0.45) CYP3A4KMT2AALDH1A1MMP2MEN1
SCHEMBL29548385 0.87 MMP2 (0.49) KDM4EMMP2RAB9ANR1H2
SCHEMBL4388576 0.85 AGTR2 (0.48) KMT2AMCL1NR1H2
SCHEMBL12695279 0.84 MMP2 (0.45) KMT2AMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230416199-A1 INHIBITORS OF AMINO ACID TRANSPORT ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-12-28 US disclosed
WO-2022087630-A1 INHIBITORS OF AMINO ACID TRANSPORT ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2022-04-28 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 (1 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-20230416199-A1 INHIBITORS OF AMINO ACID TRANSPORT SLC1A5, SLC7A1, SLC7A5 CYP3A4 2946/4885KMT2A 2152/4885KDM4E 4289/4885

“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.