SCHEMBL3101165

SCHEMBL3101165

CCN(CC)C(=O)C(Cc1ccc(NC(=O)c2ccccc2F)cc1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
KAT6A Q92794 4/20 0.48
KAT7 O95251 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
KCNH2 Q12809 1/20 0.48
KAT6B Q8WYB5 1/20 0.48
KAT5 Q92993 1/20 0.48
KAT8 Q9H7Z6 1/20 0.48
MAPT P10636 5/20 0.46
TP53 P04637 5/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
LARS1 Q9P2J5 1/20 0.43
KDM4E B2RXH2 3/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL3100518 1.00 NPC1 (0.51) NPC1RAB9AKAT6AKAT7CYP3A4
SCHEMBL3096420 0.93 GPR27 (0.48) NPC1RAB9AKAT6AKAT7CYP3A4
SCHEMBL3093127 0.93 GPR27 (0.48) NPC1RAB9AKAT6AKAT7CYP3A4
SCHEMBL3079467 0.92 F2 (0.43) NPC1RAB9AKAT6AKAT7CYP3A4
SCHEMBL3092060 0.92 KAT6A (0.47) NPC1RAB9AKAT6AKAT7CYP3A4
SCHEMBL3093284 0.90 KAT6A (0.49) NPC1RAB9AKAT6AMAPTSMN1; SMN2
SCHEMBL3093039 0.90 MEN1 (0.50) NPC1RAB9AKAT6AMAPTTP53
SCHEMBL3093304 0.90 LARS1 (0.42) NPC1RAB9AKAT6AKAT7CYP3A4
SCHEMBL3086182 0.90 LARS1 (0.42) NPC1RAB9AKAT6AKAT7CYP3A4
SCHEMBL3096503 0.90 LARS1 (0.45) NPC1KAT6AMAPTLARS1MEN1

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-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 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-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 NPC1 3306/4885RAB9A 826/4885KAT6A 3337/4885

“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.