SCHEMBL1465578

SCHEMBL1465578

O=Cc1sccc1S(=O)(=O)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.44
CYP2A6 P11509 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
NAMPT P43490 3/20 0.36
MAPT P10636 1/20 0.36
ABCC9 O60706 1/20 0.36
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
KCNJ8 Q15842 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
HTR6 P50406 1/20 0.35
CYP2E1 P05181 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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) NPSR1KDM4EGAATSHRCA12
SCHEMBL1466367 0.73 LOX (0.41) NPSR1MAPTCYP3A4CYP2C9CYP2C19
SCHEMBL9232776 0.73 NAPRT (0.68) NAPRTCYP2A6KDM4ENAMPTABCC9
SCHEMBL31404866 0.73 NAPRT (0.68) NAPRTCYP2A6KDM4ENAMPTABCC9
SCHEMBL27808044 0.72 TSHR (0.35) CYP2A6KDM4EGAATSHRMAPT
SCHEMBL1422425 0.72 PTGS2 (0.41) NPSR1MAPT
SCHEMBL1421877 0.72 KDM4E (0.43) NPSR1KDM4EABCC9ABCC8KCNJ11
SCHEMBL27843011 0.69 CYP2A6 (0.58) CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6
SCHEMBL10935860 0.68 HTR6 (0.61) NAPRTNAMPTABCC9ABCC8KCNJ11
Formic Acid SCHEMBL29730851 0.66 NAPRT (0.58) NAPRTNAMPTCA12CA1CA2

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 NAPRT 943/4885CYP2A6 1952/4885NPSR1 40/4885
US-20110071175-A1 Indoles and Their Therapeutic Use FPR3, HRH2, HRH4 NAPRT 2988/4885CYP2A6 1391/4885NPSR1 115/4885

“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.