SCHEMBL6324734

SCHEMBL6324734

COc1cccc(-c2ccc(CN(C(=O)c3ccc(Cl)cc3Cl)C(Cc3ccccc3)C(=O)O)s2)c1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 6/20 0.51
HSD17B1 P14061 2/20 0.43
CNR1 P21554 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL6324731 1.00 HSD17B2 (0.51) HSD17B2HSD17B1CNR1ALDH1A1
SCHEMBL6319155 0.93 HSD17B2 (0.49) HSD17B2
SCHEMBL6319163 0.93 HSD17B2 (0.49) HSD17B2
SCHEMBL6319956 0.87 MEN1 (0.38)
SCHEMBL6322627 0.87 ACKR3 (0.40) HSD17B2HSD17B1CNR1
SCHEMBL6322629 0.87 ACKR3 (0.40) HSD17B2HSD17B1CNR1
SCHEMBL6316159 0.87 RORC (0.38) HSD17B2
SCHEMBL6316449 0.86 TP53 (0.38)
SCHEMBL6316454 0.86 TP53 (0.38)
SCHEMBL6317122 0.86 MEN1 (0.38)

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
US-6887877-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-05-03 US claimed
US-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections SHIRE BIOCHEM INC. (CA) 2003-12-11 US claimed
US-6887877-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-05-03 US disclosed
US-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections SHIRE BIOCHEM INC. (CA) 2003-12-11 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-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections HAVCR2, ZC3HAV1, MAVS HSD17B2 991/4885HSD17B1 450/4885CNR1 2412/4885

“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.