SCHEMBL2801089

SCHEMBL2801089

CS(=O)(=O)NC(=O)c1cnn2c(NCc3ccccc3)c(C(=O)N3CCC(n4cccn4)CC3)cnc12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.38
EPHX2 P34913 1/20 0.38
THRB P10828 2/20 0.38
TP53BP1 Q12888 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
IRAK4 Q9NWZ3 2/20 0.35
VNN1 O95497 1/20 0.35
PDE4B Q07343 1/20 0.34
F11 P03951 1/20 0.34
ALDH1A1 P00352 2/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
SPR P35270 1/20 0.34
SLC6A7 Q99884 1/20 0.34
GRIN2B Q13224 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 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
SCHEMBL2800863 0.90 EPHX2 (0.42) CXCR4EPHX2THRBTP53BP1L3MBTL3
SCHEMBL2799687 0.86 STAT6 (0.40) THRBL3MBTL1SMN1; SMN2ALDH1A1SPR
SCHEMBL2801640 0.86 EPHX2 (0.42) CXCR4EPHX2THRBTP53BP1L3MBTL3
SCHEMBL2798553 0.84 THRB (0.37) THRBTP53BP1L3MBTL3L3MBTL1SMN1; SMN2
SCHEMBL2801027 0.84 RBP4 (0.40) THRBSMN1; SMN2PDE4BALDH1A1KDM4E
SCHEMBL2802391 0.84 SMN1; SMN2 (0.41) THRBSMN1; SMN2ALDH1A1TSHRSPR
SCHEMBL2801112 0.83 CYP3A4 (0.35) THRBSMN1; SMN2PDE4BSLC6A7KDM4E
SCHEMBL2801428 0.83 ALDH1A1 (0.39) THRBSMN1; SMN2ALDH1A1SPRKDM4E
SCHEMBL2800864 0.83 CCR1 (0.42) THRBSMN1; SMN2
SCHEMBL2802693 0.83 TP53 (0.41) SMN1; SMN2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206714-B1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO LTD (JP) 2015-01-21 EP disclosed
US-8729264-B2 Agent for prevention and/or treatment of skin diseases KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-05-20 US disclosed
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-10-07 US disclosed
EP-2206714-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES Kyowa Hakko Kirin Co., Ltd. (JP) 2010-07-14 EP 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-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES TYR, CUTA, SERPINB1 CXCR4 4525/4885EPHX2 2322/4885THRB 4546/4885

“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.