SCHEMBL20873124

SCHEMBL20873124

CC(C)c1ccc(C(=O)Nc2ccc3c(c2)CN(C(=O)O)C3)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
KDM4E B2RXH2 1/20 0.52
TMPRSS2 O15393 5/20 0.50
L3MBTL3 Q96JM7 1/20 0.50
ALDH1A1 P00352 1/20 0.50
NAMPT P43490 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
MAPT P10636 3/20 0.47
TP53 P04637 1/20 0.47
HSD17B3 P37058 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL22493880 0.82 TMPRSS2 (0.57) TMPRSS2L3MBTL3NAMPTSMN1; SMN2NPC1
SCHEMBL22493893 0.81 LMNA (0.59) LMNAKDM4ETMPRSS2L3MBTL3NAMPT
SCHEMBL20873106 0.77 TRPV1 (0.67) LMNATMPRSS2NAMPTSMN1; SMN2NPC1
SCHEMBL20873129 0.77 TMPRSS2 (0.48) LMNAKDM4ETMPRSS2L3MBTL3ALDH1A1
SCHEMBL4795400 0.76 HSD17B3 (0.67) LMNATMPRSS2L3MBTL3ALDH1A1NAMPT
SCHEMBL20873126 0.76 KCNK3 (0.54) TMPRSS2L3MBTL3NAMPTSMN1; SMN2NPC1
SCHEMBL23844169 0.76 LMNA (0.76) LMNAKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL8225940 0.76 NAMPT (0.50) NAMPT
SCHEMBL10024974 0.75 SMN1; SMN2 (0.49) LMNAKDM4EL3MBTL3ALDH1A1NAMPT
SCHEMBL20873112 0.75 NAMPT (0.49) LMNAKDM4ETMPRSS2L3MBTL3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464289-B1 ULTRA-POTENT VINCA ALKALOIDS: ADDED MOLECULAR COMPLEXITY FURTHER DISRUPTS THE TUBULIN DIMER-DIMER INTERFACE SCRIPPS RESEARCH INST (US) 2021-04-21 EP disclosed
US-10975101-B2 Ultra-potent vinca alkaloids: added molecular complexity further disrupts the tublin dimer-dimer interface THE SCRIPPS RESEARCH INSTITUTE (US) 2021-04-13 US disclosed
US-20200317696-A1 ULTRA-POTENT VINA ALKALOIDS: ADDED MOLECULAR COMPLEXITY FURTHER DISRUPTS THE TUBLIN DIMER-DIMER INTERFACE NATIONAL INSTITUTES OF HEALTH 2020-10-08 US disclosed
EP-3464289-A1 ULTRA-POTENT VINA ALKALOIDS: ADDED MOLECULAR COMPLEXITY FURTHER DISRUPTS THE TUBLIN DIMER-DIMER INTERFACE The Scripps Research Institute (US) 2019-04-10 EP 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 (2 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-10975101-B2 Ultra-potent vinca alkaloids: added molecular complexity further disrupts the tublin dimer-dimer interface TUBA1C, TUBB2A, TUBA1A LMNA 3125/4885KDM4E 3798/4885TMPRSS2 3789/4885
US-20200317696-A1 ULTRA-POTENT VINA ALKALOIDS: ADDED MOLECULAR COMPLEXITY FURTHER DISRUPTS THE TUBLIN DIMER-DIMER INTERFACE TUBA1A, TUBA1C, TUBB2A LMNA 2802/4885KDM4E 3842/4885TMPRSS2 3827/4885

“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.