SCHEMBL23809276

SCHEMBL23809276

CC(C)c1cn(C)c2ncc(C(=O)O)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 2/20 0.39
PTPN11 Q06124 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
HCAR3 P49019 3/20 0.35
EGLN1 Q9GZT9 3/20 0.34
RXRA P19793 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MTNR1A P48039 1/20 0.33
FABP3 P05413 1/20 0.33
FABP4 P15090 1/20 0.33
KDM6B O15054 1/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
MGAM O43451 1/20 0.33
LMNA P02545 1/20 0.33
NTRK1 P04629 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL17963082 0.80 HCAR2 (0.40) PTPN11HCAR3RXRAKDM4EMTNR1A
SCHEMBL1046974 0.79 BRD4 (0.46) PTPN11HCAR3RXRAKDM4EMTNR1A
SCHEMBL31403558 0.79 BRD4 (0.46) PTPN11HCAR3RXRAKDM4EMTNR1A
SCHEMBL22553995 0.79 HCAR2 (0.39) PTPN11HCAR3RXRAKDM4EMTNR1A
SCHEMBL17963140 0.77 MTNR1A (0.43) ACE2PTPN11HCAR3KDM4EMTNR1A
SCHEMBL31403585 0.75 RXRA (0.42) PTPN11EGLN1RXRAKDM4CNTRK1
SCHEMBL22150189 0.75 HPGD (0.40) LMNAHSD17B10
SCHEMBL15341896 0.75 REN (0.33)
SCHEMBL24915549 0.73 MTNR1A (0.48) RXRAMTNR1A
SCHEMBL1554607 0.73 ACE2 (0.51) ACE2SLC22A12HCAR3RXRAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2021-09-16 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 (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-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 ACE2 4387/4885PTPN11 1699/4885SLC22A12 3136/4885

“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.