SCHEMBL29326762

SCHEMBL29326762

COc1cc(F)c(Cl)c(-c2ccc3c(=O)n(-c4cccc5ccccc45)c(=O)[nH]c3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.45
PKM P14618 1/20 0.45
KDM4E B2RXH2 5/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 2/20 0.38
HIF1A Q16665 1/20 0.38
F10 P00742 1/20 0.38
JAK2 O60674 4/20 0.38
BTK Q06187 4/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 2/20 0.37
PTGES O14684 2/20 0.37
CYP2C9 P11712 2/20 0.37
MEN1 O00255 1/20 0.37
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
NPEPPS P55786 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL27379527 0.90 HSD17B10 (0.42) HSD17B10PKMKDM4EHTTALDH1A1
SCHEMBL29326426 0.86 HSD17B10 (0.52) HSD17B10PKMKDM4EHTTALDH1A1
SCHEMBL29326756 0.83 HSD17B10 (0.58) HSD17B10PKMKDM4EHTTALDH1A1
SCHEMBL29326311 0.81 KDM4E (0.47) KDM4EHTTGAAPTGESCYP2C9
SCHEMBL29326363 0.81 TNKS2 (0.50) KDM4EHTTGAAPTGESCYP2C9
SCHEMBL29326224 0.81 NPEPPS (0.48) HSD17B10PKMKDM4EHTTGAA
SCHEMBL29326366 0.80 KDM4E (0.47) KDM4EHTTGAAPTGESCYP2C9
SCHEMBL29326321 0.79 HSD17B10 (0.47) HSD17B10PKMKDM4EALDH1A1SMN1; SMN2
SCHEMBL29326236 0.79 NPEPPS (0.44) HSD17B10PKMKDM4EHTTGAA
SCHEMBL29326676 0.79 KDM4E (0.45) KDM4EHTTSMN1; SMN2HPGDBTK

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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE HSD17B10 433/4885PKM 2848/4885KDM4E 3744/4885

“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.