SCHEMBL2446969

SCHEMBL2446969

Cc1ccc(S(=O)(=O)OC[C@@]2(C)CCCN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MMP13 P45452 1/20 0.38
GPR119 Q8TDV5 7/20 0.37
NAMPT P43490 4/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
P2RX7 Q99572 2/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL26906023 0.93 KMT2A (0.43) KMT2AMEN1MMP13GPR119P2RX7
SCHEMBL3479164 0.86 STAT3 (0.40) KMT2AMEN1ALDH1A1HPGDNPSR1
SCHEMBL28310624 0.82 KMT2A (0.43) KMT2AMEN1MMP13GPR119ALDH1A1
SCHEMBL15425361 0.80 GRIN2B (0.37) GPR119NAMPTHPGDNR1H2NR1H3
SCHEMBL16520138 0.79 KMT2A (0.50) KMT2AMEN1MMP13GPR119P2RX7
SCHEMBL27546930 0.78 KMT2A (0.43) KMT2AMEN1MMP13GPR119ALDH1A1
SCHEMBL19205366 0.77 MEN1 (0.46) KMT2AMEN1MMP13GPR119P2RX7
SCHEMBL3981081 0.77 KMT2A (0.39) KMT2AMEN1ALDH1A1HPGDNPSR1
SCHEMBL143673 0.77 KMT2A (0.39) KMT2AMEN1ALDH1A1HPGDNPSR1
SCHEMBL23531641 0.77 KMT2A (0.50) KMT2AMEN1MMP13GPR119P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722727-B2 Antifungal agents Seynix, Inc. (US) 2014-05-13 US disclosed
US-8722727-B2 Antifungal agents Seynix, Inc. (US) 2014-05-13 US disclosed
US-8722727-B2 Antifungal agents Seynix, Inc. (US) 2014-05-13 US disclosed
EP-2326180-B1 ANTIFUNGAL AGENTS MERCK SHARP & DOHME (US) 2013-10-16 EP disclosed
US-8188085-B2 Antifungal agents MERCK SHARP & DOHME CORP. (US) 2012-05-29 US disclosed
US-8188085-B2 Antifungal agents MERCK SHARP & DOHME CORP. (US) 2012-05-29 US disclosed
US-20110224228-A1 ANTIFUNGAL AGENTS MERCK SHARP & DOHME CORP. (US) 2011-09-15 US disclosed
US-20110224228-A1 ANTIFUNGAL AGENTS MERCK SHARP & DOHME CORP. (US) 2011-09-15 US disclosed
US-20110224228-A1 ANTIFUNGAL AGENTS MERCK SHARP & DOHME CORP. (US) 2011-09-15 US disclosed
US-20100113439-A1 Antifungal agents MERCK & CO., INC. (US) 2010-05-06 US disclosed
US-20100113439-A1 Antifungal agents MERCK & CO., INC. (US) 2010-05-06 US disclosed
WO-2010019206-A1 ANTIFUNGAL AGENTS MERCK SHARP & DOHME CORP. (US) 2010-02-18 WO disclosed
WO-2010019204-A1 ANTIFUNGAL AGENTS MERCK SHARP & DOHME CORP. (US) 2010-02-18 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-20110224228-A1 ANTIFUNGAL AGENTS GMDS, GBA3, UGGT1 KMT2A 4698/4885MEN1 718/4885MMP13 1519/4885
US-20100113439-A1 Antifungal agents GMDS, GBA3, UGGT1 KMT2A 4676/4885MEN1 736/4885MMP13 1527/4885

“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.