SCHEMBL6323707

SCHEMBL6323707

CC(=O)c1cccc(CN(C(=O)c2ccc(Cl)cc2Cl)C(Cc2ccccc2)C(=O)O)c1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TMEM97 Q5BJF2 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
MDM2 Q00987 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PPARA Q07869 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
SCHEMBL6324780 0.92 MRGPRX4 (0.46) MEN1KMT2A
SCHEMBL6322354 0.91 SRD5A2 (0.41) ALDH1A1HTTTMEM97SIGMAR1NPC1
SCHEMBL6322347 0.91 SRD5A2 (0.41) ALDH1A1HTTTMEM97SIGMAR1NPC1
SCHEMBL6316749 0.90 VNN1 (0.40) TMEM97SIGMAR1PPARA
SCHEMBL6316745 0.90 VNN1 (0.40) TMEM97SIGMAR1PPARA
SCHEMBL6322854 0.89 PPARA (0.44) TMEM97SIGMAR1NPC1RAB9APPARA
SCHEMBL6322860 0.89 PPARA (0.44) TMEM97SIGMAR1NPC1RAB9APPARA
SCHEMBL6317869 0.89 PPARA (0.48) TMEM97SIGMAR1NPC1RAB9APPARA
SCHEMBL6319567 0.89 SLC7A5 (0.48) TMEM97SIGMAR1
SCHEMBL6318189 0.88 HSP90AA1 (0.43) TMEM97SIGMAR1MAPTPPARA

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 ALDH1A1 245/4885HTT 3349/4885MEN1 2490/4885

“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.