SCHEMBL2158587

SCHEMBL2158587

Cc1ccc(S(=O)(=O)Nc2csc(-c3ccc(F)cc3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.57
KDM4E B2RXH2 2/20 0.56
KIT P10721 3/20 0.54
MAPT P10636 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GLA P06280 1/20 0.51
HSP90AA1 P07900 1/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
RAB9A P51151 1/20 0.51
RORC P51449 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
FFAR4 Q5NUL3 2/20 0.50
NPY5R Q15761 1/20 0.49
PTGS1 P23219 1/20 0.48

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
SCHEMBL2157892 0.84 RORC (0.53) KITRORCSMN1; SMN2LMNATP53
SCHEMBL2158635 0.84 MAPT (0.65) NPSR1KDM4EMAPTMEN1KMT2A
SCHEMBL2157849 0.84 HSD11B1 (0.52) KMT2ATP53BRD4
SCHEMBL2157533 0.83 MAPT (0.50) NPSR1KDM4EMAPTMEN1KMT2A
SCHEMBL2158359 0.80 MAPT (0.45) NPSR1MAPTMEN1KMT2AALDH1A1
SCHEMBL6555446 0.78 MEN1 (0.73) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL3367872 0.78 MEN1 (0.73) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL2157622 0.77 ALDH1A1 (0.55) NPSR1KDM4EMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL5795791 0.77 MEN1 (0.71) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL28572246 0.75 L3MBTL1 (0.62) MAPTMEN1KMT2AALDH1A1GAA

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-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed
US-7985769-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
US-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2006-06-29 US disclosed
US-6881741-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-04-19 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-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections HAVCR2, ZC3HAV1, MAVS NPSR1 2975/4885KDM4E 3220/4885KIT 3956/4885

“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.