SCHEMBL4089067

SCHEMBL4089067

Cc1ccc2c(=O)nc(-c3cc(S(C)(=O)=O)cc(CCC(=O)O)n3)sc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.34
RAB9A P51151 3/20 0.34
APEX1 P27695 2/20 0.34
POLB P06746 2/20 0.34
MITF O75030 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
RORC P51449 2/20 0.34
HPGD P15428 1/20 0.34
BCL2L1 Q07817 1/20 0.33
MCL1 Q07820 1/20 0.33
KDM4E B2RXH2 2/20 0.33
FGFR1 P11362 1/20 0.33
EGFR P00533 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AKR1B1 P15121 1/20 0.32
TP53 P04637 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
MAOB P27338 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
SCHEMBL4094643 0.89 HDAC6 (0.42) MCL1RXRARXRBRXRGMEN1
SCHEMBL4093194 0.89 PTGDR2 (0.36) KDM4EAKR1B1RXRARXRBRXRG
SCHEMBL4082764 0.88 MIF (0.44) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL4621029 0.88 RORC (0.38) NPC1RAB9AALDH1A1MAPTRORC
SCHEMBL4083068 0.87 PIK3CD (0.33) NPC1RAB9APOLBALDH1A1MAPT
Tromethamine SCHEMBL4093011 0.84 HDAC6 (0.37) MCL1MEN1KMT2AHDAC6
SCHEMBL2952825 0.83 MIF (0.38) NPC1RAB9AAPEX1POLBMITF
Potassium Ion SCHEMBL4088703 0.80 MEN1 (0.33) POLBALDH1A1MAPTRORCMCL1
SCHEMBL4093006 0.80 MEN1 (0.33) POLBALDH1A1MAPTRORCMCL1
SCHEMBL4085450 0.79 KDM4E (0.36) NPC1RAB9APOLBALDH1A1MAPT

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-20090029975-A1 1,3-BENZOTHIAZINONE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-29 US claimed
US-20090029975-A1 1,3-BENZOTHIAZINONE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-29 US disclosed
US-20090029975-A1 1,3-BENZOTHIAZINONE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-29 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-20090029975-A1 1,3-BENZOTHIAZINONE DERIVATIVE AND USE THEREOF MIF, CCL2, MSR1 NPC1 819/4885RAB9A 3908/4885APEX1 178/4885

“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.