SCHEMBL29324588

SCHEMBL29324588

CC(C)c1cc(=O)oc2ccc(OC(=O)c3ccc(NC(=N)N)cc3)cc12

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 1/20 0.70
RAB9A P51151 1/20 0.45
KMT2A Q03164 7/20 0.43
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
MAPT P10636 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
NPBWR1 P48145 1/20 0.43
GBA1 P04062 2/20 0.42
POLB P06746 3/20 0.40
CA9 Q16790 3/20 0.40
CA12 O43570 2/20 0.40
MAOA P21397 1/20 0.40
PTGS2 P35354 1/20 0.40
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.39
PRSS1 P07477 1/20 0.38
ACR P10323 1/20 0.38

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
SCHEMBL289400 0.81 KDM4E (0.67) RAB9AKMT2AALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL7641797 0.80 KDM4E (0.65) RAB9AKMT2AALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL381749 0.80 KDM4E (0.64) RAB9AKMT2AALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL31460331 0.79 CA9 (0.63) RAB9AKMT2AMAPTGBA1POLB
SCHEMBL10442289 0.78 KMT2A (0.65) KMT2AALDH1A1KDM4EMAPTGLA
Hydrochloric Acid SCHEMBL31460267 0.78 KMT2A (0.63) KMT2AALDH1A1KDM4EMAPTGLA
SCHEMBL10956570 0.74 KMT2A (0.56) KMT2AALDH1A1KDM4EMAPTHPGD
SCHEMBL861206 0.73 ALDH1A1 (0.67) RAB9AKMT2AALDH1A1KDM4EMAPT
SCHEMBL11425856 0.73 ELANE (0.53) KMT2AKDM4EMAPTGLAMEN1
SCHEMBL7328271 0.72 ACR (0.58) RAB9AKMT2AALDH1A1KDM4EMAPT

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-20240226128-A1 NOVEL COMPOUNDS WITH DUAL INHIBITION ACTIVITY AGAINST SARS-COV-2 CRITICAL ENZYMES RDRP, MPRO AND HUMAN TMPRSS2 UNIVERSITY OF SHARJAH (AE) 2024-07-11 US disclosed
US-20240226128-A1 NOVEL COMPOUNDS WITH DUAL INHIBITION ACTIVITY AGAINST SARS-COV-2 CRITICAL ENZYMES RDRP, MPRO AND HUMAN TMPRSS2 UNIVERSITY OF SHARJAH (AE) 2024-07-11 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-20240226128-A1 NOVEL COMPOUNDS WITH DUAL INHIBITION ACTIVITY AGAINST SARS-COV-2 CRITICAL ENZYMES RDRP, MPRO AND HUMAN TMPRSS2 TMPRSS2, ACE2, TMPRSS4 TMPRSS2 1/4885RAB9A 1746/4885KMT2A 1612/4885

“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.