SCHEMBL4115495

SCHEMBL4115495

Cc1nc(-c2ccc(S(N)(=O)=O)s2)cs1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.63
MAPT P10636 5/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPK1 P28482 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
POLB P06746 1/20 0.54
RAB9A P51151 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PKM P14618 1/20 0.52
PRNP P04156 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
NPC1 O15118 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CA1 P00915 5/20 0.49
CA2 P00918 5/20 0.49
CA12 O43570 4/20 0.49
CA9 Q16790 4/20 0.49
PFKFB3 Q16875 2/20 0.48
PFKFB4 Q16877 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
SCHEMBL4198555 0.84 KDM4E (0.63) KDM4EMAPTALDH1A1MAPK1NPSR1
SCHEMBL761926 0.84 KDM4E (0.63) KDM4EMAPTALDH1A1MAPK1NPSR1
SCHEMBL14468670 0.83 KDM4E (0.70) KDM4EMAPTALDH1A1MAPK1NPSR1
SCHEMBL14447520 0.81 KDM4E (0.60) KDM4EMAPTALDH1A1MAPK1NPSR1
SCHEMBL12230254 0.77 PFKFB3 (0.67) KDM4EMAPTALDH1A1POLBPKM
SCHEMBL14014139 0.76 POLB (0.76) KDM4EMAPTALDH1A1MAPK1NPSR1
SCHEMBL423483 0.75 MAPT (0.68) KDM4EMAPTALDH1A1MAPK1NPSR1
SCHEMBL4802533 0.74 CA2 (0.53) RAB9ANPC1CA1CA2CA12
SCHEMBL18358985 0.72 ALDH1A1 (0.62) KDM4EMAPTALDH1A1MAPK1NPSR1
SCHEMBL12230000 0.72 PRNP (0.66) KDM4EMAPTALDH1A1MAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013173506-A2 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 WO disclosed
US-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 US disclosed
US-20090227555-A2 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-09-10 US disclosed
US-20090227555-A2 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-09-10 US disclosed
US-20090227555-A2 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-09-10 US disclosed
US-20090042852-A1 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-02-12 US disclosed
US-20090042852-A1 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-02-12 US disclosed
US-20090042852-A1 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-02-12 US disclosed
EP-1836189-A1 NOVEL PYRIDINE COMPOUNDS AstraZeneca AB (SE) 2007-09-26 EP disclosed
WO-2006073361-A9 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2007-08-02 WO disclosed
WO-2006073361-A1 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2006-07-13 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 (3 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-20090042852-A1 Novel Pyridine Compounds P2RY12, P2RY11, P2RY1 KDM4E 3376/4885MAPT 3696/4885ALDH1A1 1820/4885
US-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION PYGM, CKMT1A; CKMT1B, SMN1; SMN2 KDM4E 906/4885MAPT 2214/4885ALDH1A1 1984/4885
US-20090227555-A2 Novel Pyridine Compounds P2RY12, P2RY1, P2RY11 KDM4E 2316/4885MAPT 4295/4885ALDH1A1 1638/4885

“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.