SCHEMBL2803954

SCHEMBL2803954

CS(=O)(=O)NC(=O)c1cnn2c(NCc3ccccc3)c(C(=O)N3CCC4(CC3)COc3cc(F)ccc34)cnc12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.36
S1PR5 Q9H228 4/20 0.35
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
PRSS1 P07477 2/20 0.34
PRSS2 P07478 2/20 0.34
PRSS3 P35030 2/20 0.34
KCNH2 Q12809 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
AVPR1A P37288 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33

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
SCHEMBL16390951 0.95 PRSS1 (0.38) ALDH1A1PRSS1PRSS2PRSS3
SCHEMBL2801247 0.92 IDO1 (0.39) ALDH1A1S1PR5PRSS1PRSS2PRSS3
SCHEMBL2801347 0.92 S1PR5 (0.38) ALDH1A1S1PR5S1PR1S1PR3PRSS1
SCHEMBL2803820 0.87 S1PR5 (0.37) S1PR5S1PR1S1PR3PRSS1PRSS2
SCHEMBL2799675 0.87 ALDH1A1 (0.34) ALDH1A1LMNATP53
SCHEMBL2803162 0.86 IDO1 (0.38) ALDH1A1S1PR5PRSS1PRSS2PRSS3
SCHEMBL2801703 0.84 IDO1 (0.38) S1PR5PRSS1PRSS2PRSS3AVPR1A
SCHEMBL2802426 0.82 IDO1 (0.43) S1PR5S1PR1S1PR3PRSS1PRSS2
SCHEMBL2803834 0.82 RBP4 (0.40) ALDH1A1TP53
SCHEMBL2803842 0.81 SCD5 (0.36) ALDH1A1

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 ALDH1A1 243/4885S1PR5 3628/4885S1PR1 3781/4885

“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.