SCHEMBL12089569

SCHEMBL12089569

CC(C)NS(=O)(=O)c1cccc(C(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.51
PGR P06401 1/20 0.49
KAT6A Q92794 2/20 0.48
EGFR P00533 1/20 0.47
TNNI3K Q59H18 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HTR2B P41595 1/20 0.46
FBP1 P09467 1/20 0.45
GFER P55789 1/20 0.44
ALDH3A1 P30838 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NLRP3 Q96P20 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MDM4 O15151 1/20 0.41
CA1 P00915 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
TYR P14679 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL12278151 0.84 TNNI3K (0.62) CA2PGRKAT6AEGFRTNNI3K
SCHEMBL171036 0.80 KMT2A (0.61) ALDH1A1HTR2BFBP1NLRP3KDM4E
SCHEMBL7219392 0.79 MAPT (0.65) CA2PGRKAT6AEGFRTNNI3K
SCHEMBL15614426 0.79 KMT2A (0.47) CA2PGRKAT6AEGFRTNNI3K
SCHEMBL11300578 0.79 SMN1; SMN2 (0.52) CA2PGRKAT6AEGFRTNNI3K
SCHEMBL265556 0.79 HSD17B2 (0.49) PGRALDH1A1HTR2BGFER
SCHEMBL7913284 0.79 HTR2B (0.52) CA2PGRKAT6AALDH1A1HTR2B
SCHEMBL9866942 0.79 HTR2B (0.49) ALDH1A1HTR2BGFERALDH3A1NPSR1
SCHEMBL12376750 0.79 PGR (0.60) PGRALDH1A1HTR2BFBP1MAPT
SCHEMBL3649156 0.79 POLB (0.56) CA2ALDH1A1HTR2BCA1SMN1; SMN2

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-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 US disclosed
US-20160333011-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-11-17 US disclosed
US-20140378449-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-12-25 US disclosed
US-8889673-B2 Triazolopyridine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-11-18 US disclosed
US-20140038939-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-02-06 US disclosed
US-20120264747-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS ZHU BING-YAN (US) 2012-10-18 US disclosed
US-20120225855-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS ZHU BING-YAN (US) 2012-09-06 US disclosed
US-20100048557-A1 Triazolopyridine JAK Inhibitor Compounds and Methods GENENTECH, INC. 2010-02-25 US disclosed
US-20100035875-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. 2010-02-11 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 (10 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-20140378449-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 CA2 3849/4885PGR 1126/4885KAT6A 4068/4885
US-20100048557-A1 Triazolopyridine JAK Inhibitor Compounds and Methods JAK2, JAK1, JAK3 CA2 3849/4885PGR 1126/4885KAT6A 4068/4885
US-20160333011-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 CA2 4206/4885PGR 1322/4885KAT6A 3115/4885
US-20120264747-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 CA2 3849/4885PGR 1126/4885KAT6A 4068/4885
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CA2 4636/4885PGR 4610/4885KAT6A 697/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA CA2 2962/4885PGR 1139/4885KAT6A 1728/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CA2 4253/4885PGR 4443/4885KAT6A 669/4885
US-20140038939-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 CA2 3849/4885PGR 1126/4885KAT6A 4068/4885
US-20120225855-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 CA2 3849/4885PGR 1126/4885KAT6A 4068/4885
US-20100035875-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 CA2 3849/4885PGR 1126/4885KAT6A 4068/4885

“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.