SCHEMBL2435113

SCHEMBL2435113

CCc1cc(C#N)ccc1C(=O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
XDH P47989 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
SETDB1 Q15047 1/20 0.37
CTBP2 P56545 1/20 0.37
EGLN2 Q96KS0 1/20 0.36
FFAR1 O14842 3/20 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
PTGDR2 Q9Y5Y4 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA4 P48058 1/20 0.35
MAP2K1 Q02750 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
GSK3B P49841 2/20 0.35
HSD17B1 P14061 1/20 0.35
HTT P42858 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
SCHEMBL394617 0.86 XDH (0.46) CYP2A6KDM4CXDHSLC22A12SETDB1
SCHEMBL10589976 0.81 KDM4C (0.37) CYP2A6KDM4CXDHSLC22A12SETDB1
SCHEMBL1169569 0.81 CYP2A6 (0.41) CYP2A6KDM4CXDHSLC22A12SETDB1
SCHEMBL29740345 0.81 CYP2A6 (0.41) CYP2A6KDM4CXDHSLC22A12SETDB1
SCHEMBL286231 0.79 CYP2A6 (0.43) CYP2A6SETDB1MAP2K1
SCHEMBL23832237 0.78 CYP11B1 (0.39) CYP2A6KDM4CSETDB1PTGDR2
SCHEMBL7433331 0.76 CYP2A6 (0.41) CYP2A6KDM4CSETDB1EGLN2MAP2K1
SCHEMBL2154388 0.76 EGLN2 (0.52) CYP2A6SETDB1EGLN2ABCC9ABCC8
SCHEMBL11434090 0.75 XDH (0.43) KDM4CXDHSLC22A12FFAR1ABCC9
SCHEMBL167162 0.75 CSNK2A1 (0.41) HSD17B1HTT

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
EP-2713736-B1 NOVEL IMMUNE SYSTEM MODULATORS JANUS BIOTHERAPEUTICS INC (US) 2023-08-02 EP disclosed
US-10117875-B2 Immune system modulators JANUS BIOTHERAPEUTICS, INC. (US) 2018-11-06 US disclosed
US-20170224699-A1 NOVEL IMMUNE SYSTEM MODULATORS Wilmer Cutler Pickering Hale and Dorr LLP 2017-08-10 US disclosed
US-9637489-B2 Immune system modulators JANUS BIOTHERAPEUTICS, INC. (US) 2017-05-02 US disclosed
US-9359361-B2 Immune system modulators JANUS BIOTHERAPEUTICS, INC. (US) 2016-06-07 US disclosed
US-20160074403-A1 NOVEL IMMUNE SYSTEM MODULATORS Wilmer Cutler Pickering Hale and Dorr LLP 2016-03-17 US disclosed
US-9126996-B2 Immune system modulators JANUS BIOTHERAPEUTICS, INC. (US) 2015-09-08 US disclosed
US-20140221646-A1 NOVEL IMMUNE SYSTEM MODULATORS JANUS BIOTHERAPEUTICS, INC. (US) 2014-08-07 US disclosed
US-20140079724-A1 NOVEL IMMUNE SYSTEM MODULATORS JANUS BIOTHERAPEUTICS, INC. (US) 2014-03-20 US disclosed
WO-2012167046-A1 NOVEL IMMUNE SYSTEM MODULATORS JANUS BIOTHERAPEUTICS, INC. (US) 2012-12-06 WO disclosed
US-8026260-B2 Histone deacetylase inhibitors with aryl-pyrazolyl-motifs MERCK SHARP & DOHME CORP. (US) 2011-09-27 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 (5 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-20140079724-A1 NOVEL IMMUNE SYSTEM MODULATORS HLA-DRB1, CD47, MYD88 CYP2A6 1124/4885KDM4C 1646/4885XDH 1921/4885
US-20140221646-A1 NOVEL IMMUNE SYSTEM MODULATORS HLA-DRB1, CD47, MYD88 CYP2A6 1124/4885KDM4C 1646/4885XDH 1921/4885
US-10117875-B2 Immune system modulators HLA-DRB1, CD47, MYD88 CYP2A6 636/4885KDM4C 1463/4885XDH 1356/4885
US-20160074403-A1 NOVEL IMMUNE SYSTEM MODULATORS HLA-DRB1, CD47, MYD88 CYP2A6 1124/4885KDM4C 1646/4885XDH 1921/4885
US-20170224699-A1 NOVEL IMMUNE SYSTEM MODULATORS HLA-DRB1, CD47, MYD88 CYP2A6 1124/4885KDM4C 1646/4885XDH 1921/4885

“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.