SCHEMBL2564523

SCHEMBL2564523

N#CCCNC(=O)CCCSc1nc2[nH]ccc2c(=O)n1-c1ccc(OCC2CCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 11/20 0.38
JAK3 P52333 7/20 0.38
JAK2 O60674 5/20 0.38
TYK2 P29597 4/20 0.38
TP53 P04637 2/20 0.37
FADS1 O60427 1/20 0.35
ACACB O00763 1/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34

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
SCHEMBL2566916 0.97 JAK1 (0.40) JAK1JAK3JAK2TYK2TP53
SCHEMBL2568369 0.89 TP53 (0.38) JAK1JAK3JAK2TYK2TP53
SCHEMBL2564407 0.89 FADS1 (0.36) JAK1JAK3JAK2TYK2TP53
SCHEMBL2564947 0.89 FADS1 (0.36) JAK1JAK3JAK2TYK2TP53
SCHEMBL2567307 0.87 RXFP1 (0.39) TP53FADS1KDM4EPOLBRXFP1
SCHEMBL2566749 0.86 TP53 (0.37) JAK1JAK3JAK2TYK2TP53
SCHEMBL13242291 0.86 FADS1 (0.49) JAK1JAK3JAK2TYK2TP53
SCHEMBL2561999 0.86 FADS1 (0.42) JAK1TP53FADS1LMNAKDM4E
SCHEMBL13266356 0.86 FADS1 (0.38) JAK1JAK3JAK2TYK2TP53
SCHEMBL2569007 0.85 FADS1 (0.37) JAK1JAK3JAK2TYK2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382218-A1 DELTA-5-DESATURASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-11-02 EP disclosed
WO-2010087467-A1 DELTA-5-DESATURASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed
WO-2010087467-A1 DELTA-5-DESATURASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 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 (1 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-20100190747-A1 Fused ring compound and use thereof CYP46A1, LTB4R2, PTGES JAK1 242/4885JAK3 297/4885JAK2 45/4885

“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.