SCHEMBL4028141

SCHEMBL4028141

Cc1ccc(-c2c(-c3ccccc3)noc2Cl)c(S)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.45
PTGS2 P35354 6/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
TP53 P04637 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HSP90AB1 P08238 1/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 2/20 0.40
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37

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
SCHEMBL8478232 0.74 PTGS2 (0.60) PTGS1PTGS2MAPTLMNAESR1
SCHEMBL27517533 0.72 BRD4 (0.49) PTGS1PTGS2NPC1RAB9AL3MBTL1
SCHEMBL10629178 0.72 ESR2 (0.48) NPC1RAB9AL3MBTL1TP53NPSR1
SCHEMBL27498271 0.71 NPC1 (0.39) PTGS1PTGS2NPC1RAB9AL3MBTL1
SCHEMBL1131079 0.66 PSMB5 (0.38) NPC1RAB9AL3MBTL1TP53NPSR1
SCHEMBL4028144 0.66 PTGS2 (0.50) PTGS1PTGS2LMNAESR1ESR2
SCHEMBL13944767 0.66 PTGS2 (0.46) PTGS1PTGS2LMNAESR1ESR2
SCHEMBL8474342 0.66 PTGS2 (0.48) PTGS1PTGS2LMNACA12MT-CO2
SCHEMBL30074654 0.66 MGAM (0.54) L3MBTL1TP53HPGDKMT2AMEN1
SCHEMBL5999388 0.66 MGAM (0.54) L3MBTL1TP53HPGDKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1492773-B1 4-(HETEROCYCLYL)-BENZENESULFOXIMINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION CADILA HEALTHCARE LTD (IN) 2009-02-04 EP disclosed
US-7348342-B2 Heterocyclic compounds process for their preparation and pharmaceutical compositions containing them and their use in medicine CADILA HEALTHCARE LIMITED (IN) 2008-03-25 US disclosed
US-20050277678-A1 Heterocyclic compounds process for their preparation and pharmceutical compositions containing them and their use in medicine CADILA HEALTHCARE LIMITED (IN) 2005-12-15 US disclosed
EP-1492773-A2 4-(HETEROCYCLYL)-BENZENESULFOXIMINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION CADILA HEALTHCARE LTD. (IN) 2005-01-05 EP disclosed
WO-2003087062-A2 4-(HETEROCYCLYL)-BENZENESULFOXIMINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION CADILA HEALTHCARE LIMITED (IN) 2003-10-23 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-20050277678-A1 Heterocyclic compounds process for their preparation and pharmceutical compositions containing them and their use in medicine H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HPGDS, LTC4S PTGS1 22/4885PTGS2 27/4885NPC1 1242/4885

“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.