SCHEMBL2797476

SCHEMBL2797476

CS(=O)(=O)OCCc1c(Cl)ncnc1Cl

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
MMP9 P14780 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
NFE2L2 Q16236 1/20 0.31
SELE P16581 1/20 0.30
VCAM1 P19320 1/20 0.30

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
SCHEMBL12480931 0.80 KDM4E (0.40) ALDH1A1LMNAKDM4EUSP2MMP9
SCHEMBL1287724 0.75 KDM4E (0.39) ALDH1A1LMNAKDM4EUSP2MMP9
SCHEMBL4857267 0.73 TAAR1 (0.44) ALDH1A1LMNAKDM4EUSP2MMP9
SCHEMBL11046462 0.73 ALDH1A1 (0.40) ALDH1A1LMNAKDM4EUSP2MMP9
SCHEMBL16935055 0.71 KDM4E (0.39) ALDH1A1LMNAKDM4EUSP2MMP9
SCHEMBL4946961 0.70 KDM4E (0.47) ALDH1A1LMNAKDM4EUSP2MMP9
SCHEMBL6704220 0.69 ALDH1A1 (0.42) ALDH1A1LMNAKDM4ESMN1; SMN2SELE
SCHEMBL2799287 0.69
SCHEMBL22530705 0.68 ALDH1A1 (0.43) ALDH1A1LMNAKDM4E
Alcohol SCHEMBL11046459 0.68 ALDH1A1 (0.35) ALDH1A1LMNAKDM4EUSP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160152576-A9 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2016-06-02 US disclosed
US-20140148436-A1 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2014-05-29 US disclosed
US-8680114-B2 AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-03-25 US disclosed
US-20100168123-A1 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2010-07-01 US disclosed
EP-1684694-A2 AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2006-08-02 EP disclosed
US-20050130954-A1 Serine/threonine protein kinase inhibitors; hyperproliferative disorder or inflammatory conditions; e.g. 4-(4-(2-amino-3-(p-chlorophenyl)-propionyl)-piperazin-1-yl)-quinazoline ARRAY BIOPHARMA INC. 2005-06-16 US disclosed
WO-2005051304-A2 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2005-06-09 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 (4 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-20100168123-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 ALDH1A1 3849/4885LMNA 1430/4885KDM4E 2590/4885
US-20140148436-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 ALDH1A1 3849/4885LMNA 1430/4885KDM4E 2590/4885
US-20160152576-A9 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 ALDH1A1 3849/4885LMNA 1430/4885KDM4E 2590/4885
US-20050130954-A1 Serine/threonine protein kinase inhibitors; hyperproliferative disorder or inflammatory conditions; e.g. 4-(4-(2-amino-3-(p-chlorophenyl)-propionyl)-piperazin-1-yl)-quinazoline MTOR, CDK2, CLK2 ALDH1A1 3868/4885LMNA 1761/4885KDM4E 1872/4885

“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.