SCHEMBL16264341

SCHEMBL16264341

CS(=O)(=O)N1CCc2sc(C(=O)O)nc2C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
F10 P00742 5/20 0.40
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
KMT2A Q03164 1/20 0.37
CNR2 P34972 2/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
GRM5 P41594 6/20 0.34
AKR1C3 P42330 1/20 0.33
F2 P00734 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL12035208 0.79 PRMT5 (0.47) F10KMT2APRMT5WDR77GRM5
SCHEMBL743724 0.78 PRMT5 (0.46) F10KMT2APRMT5WDR77GRM5
SCHEMBL14496899 0.75 F10 (0.39) NPC1RAB9AF10KMT2APRMT5
SCHEMBL16264607 0.75 HRH3 (0.46) NPC1RAB9AF10ESR1KMT2A
SCHEMBL5548358 0.74 F10 (0.38) NPC1RAB9AF10KMT2APRMT5
SCHEMBL3300620 0.74 F10 (0.40) F10PRMT5WDR77GRM5F2
SCHEMBL16264343 0.73 ADORA1 (0.36) NPC1RAB9AF10PRMT5WDR77
SCHEMBL16264344 0.73 SLC27A1 (0.41) NPC1RAB9AESR2KMT2APRMT5
SCHEMBL3308766 0.73 F10 (0.40) F10PRMT5WDR77GRM5F2
SCHEMBL12035771 0.72 F10 (0.38) NPC1RAB9AF10PRMT5WDR77

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-20160194299-A1 COMPOUNDS FOR TREATMENT OF DRUG RESISTANT AND PERSISTENT TUBERCULOSIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH 2016-07-07 US disclosed
US-20160194299-A1 COMPOUNDS FOR TREATMENT OF DRUG RESISTANT AND PERSISTENT TUBERCULOSIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH 2016-07-07 US disclosed
WO-2014190199-A1 COMPOUNDS FOR TREATMENT OF DRUG RESISTANT AND PERSISTENT TUBERCULOSIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2014-11-27 WO 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-20160194299-A1 COMPOUNDS FOR TREATMENT OF DRUG RESISTANT AND PERSISTENT TUBERCULOSIS FNTB, PGLS, EP300 NPC1 386/4885RAB9A 1274/4885F10 4085/4885

“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.