SCHEMBL6324595

SCHEMBL6324595

CCOC(=O)c1ccc(-c2ccsc2CN(C(=O)c2ccc(Cl)cc2Cl)C(Cc2ccccc2)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PTPN1 P18031 1/20 0.37
F2RL3 Q96RI0 1/20 0.37
PRKCZ Q05513 1/20 0.36
KIF11 P52732 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
SCHEMBL6324593 1.00 TP53 (0.41) TP53NPC1POLBMAPTTSHR
SCHEMBL6322301 0.89 L3MBTL1 (0.39) KIF11
SCHEMBL6322294 0.89 L3MBTL1 (0.39) KIF11
SCHEMBL6317258 0.86 CYP3A4 (0.39) PTPN1KIF11
SCHEMBL6315852 0.85 PTPN1 (0.37) PTPN1KIF11
SCHEMBL6317231 0.85 RORB (0.41) PTPN1KIF11
SCHEMBL6318428 0.85 KIF11 (0.38) PTPN1KIF11
SCHEMBL6317221 0.85 RORB (0.41) PTPN1KIF11
SCHEMBL6322799 0.85 PTPN1 (0.41) PTPN1
SCHEMBL6323529 0.85 RORB (0.37) TP53TSHRKIF11

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 TP53 4354/4885NPC1 8/4885POLB 3057/4885

“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.