SCHEMBL6403459

SCHEMBL6403459

CC(=O)CCC(=S)N(C)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
CA12 O43570 2/20 0.54
CA9 Q16790 2/20 0.54
KMT2A Q03164 5/20 0.54
MGLL Q99685 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 3/20 0.49
ABCC1 P33527 1/20 0.48
HPGD P15428 3/20 0.47
RIPK1 Q13546 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL8397202 0.83 NPC1 (0.86) NPC1RAB9ACA12CA9KMT2A
SCHEMBL11606189 0.78 MGLL (0.59) NPC1RAB9ACA12CA9KMT2A
SCHEMBL11184602 0.77 NPC1 (0.59) NPC1RAB9ACA12CA9KMT2A
SCHEMBL10262049 0.76 CA12 (0.66) NPC1RAB9ACA12CA9KMT2A
SCHEMBL425164 0.76 NPC1 (0.68) NPC1RAB9ACA12CA9KMT2A
SCHEMBL180384 0.76 NPC1 (0.73) NPC1RAB9ACA12CA9KMT2A
Hydrochloric Acid SCHEMBL11786759 0.74 NPC1 (0.70) NPC1RAB9ACA12CA9KMT2A
SCHEMBL27773041 0.74 CA12 (0.68) NPC1RAB9ACA12CA9KMT2A
SCHEMBL3095761 0.74 NPC1 (0.70) NPC1RAB9ACA12CA9KMT2A
SCHEMBL5479984 0.74 CARM1 (0.56) NPC1RAB9ACA12CA9KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004092-A1 Penem derivatives and antimicrobial agent containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-01-06 US disclosed
EP-0757051-B1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-10-29 EP disclosed
EP-0757051-A1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-05 EP 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-20050004092-A1 Penem derivatives and antimicrobial agent containing the same MRPL21, MRPS2, MRPS28 NPC1 3232/4885RAB9A 2939/4885CA12 4847/4885

“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.