SCHEMBL1466367

SCHEMBL1466367

O=Cc1sccc1S(=O)(=O)c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.41
PKM P14618 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40
FEN1 P39748 2/20 0.38
C1S P09871 1/20 0.38
ALDH1A1 P00352 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
PAX8 Q06710 1/20 0.38
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38

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
SCHEMBL1466311 0.81 NPSR1 (0.56) FEN1ALDH1A1NPSR1KMT2APOLB
SCHEMBL1466303 0.76 PTGER3 (0.43) LOXPKMCYP2C9CYP2C19CYP2D6
SCHEMBL1336037 0.74 LOX (0.60) LOXPKMCYP2C9CYP2C19CYP2D6
SCHEMBL1465578 0.73 NAPRT (0.44) CYP2C9CYP2C19NPSR1MAPTKMT2A
Hydrochloric Acid SCHEMBL28533417 0.72 LOX (0.58) LOXPKMCYP2C9CYP2C19CYP2D6
SCHEMBL12360244 0.72 LOX (0.46) LOXPKMCYP2C9CYP2C19CYP2D6
SCHEMBL1422425 0.71 PTGS2 (0.41) CYP2D6NPSR1MAPT
SCHEMBL28264969 0.71 FEN1 (0.40) LOXPKMCYP2C9CYP2C19CYP2D6
SCHEMBL1421877 0.71 KDM4E (0.43) LOXPKMC1SNPSR1LMNA
SCHEMBL29186495 0.69 PKM (0.50) LOXPKMCYP2C9CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130225617-A1 INDOLES AND THEIR THERAPEUTIC USE PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2013-08-29 US disclosed
US-8394836-B2 Indoles and their therapeutic use PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2013-03-12 US disclosed
EP-2327693-B9 Indoles and their therapeutic use PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2012-10-24 EP disclosed
EP-2327693-B1 Indoles and their therapeutic use PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2012-06-20 EP disclosed
EP-2327693-A1 Indoles and their therapeutic use Pulmagen Therapeutics (Asthma) Limited (GB) 2011-06-01 EP disclosed
US-20110071175-A1 Indoles and Their Therapeutic Use GB005, INC. 2011-03-24 US disclosed
EP-2229358-A1 INDOLES AND THEIR THERAPEUTIC USE Pulmagen Therapeutics (Asthma) Limited (GB) 2010-09-22 EP disclosed
WO-2009077728-A1 INDOLES AND THEIR THERAPEUTIC USE ARGENTA DISCOVERY LIMITED (GB) 2009-06-25 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 (2 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-20130225617-A1 INDOLES AND THEIR THERAPEUTIC USE IDO2, IDO1, RORB LOX 736/4885PKM 4192/4885CYP2C9 3588/4885
US-20110071175-A1 Indoles and Their Therapeutic Use FPR3, HRH2, HRH4 LOX 1862/4885PKM 3539/4885CYP2C9 1629/4885

“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.