SCHEMBL2801247

SCHEMBL2801247

CS(=O)(=O)NC(=O)c1cnn2c(NCc3ccccc3)c(C(=O)N3CCC4(CC3)COc3ccccc34)cnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.39
AVPR1A P37288 1/20 0.38
PRSS1 P07477 6/20 0.36
PRSS2 P07478 6/20 0.36
PRSS3 P35030 6/20 0.36
SCD O00767 1/20 0.36
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
S1PR5 Q9H228 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
PDPK1 O15530 1/20 0.32
PRKCZ Q05513 1/20 0.32
MARK2 Q7KZI7 1/20 0.32
NR3C1 P04150 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA5A P35218 1/20 0.32

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
SCHEMBL2803162 0.94 IDO1 (0.38) IDO1AVPR1APRSS1PRSS2PRSS3
SCHEMBL16390951 0.92 PRSS1 (0.38) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2803954 0.92 ALDH1A1 (0.36) IDO1AVPR1APRSS1PRSS2PRSS3
SCHEMBL2801703 0.92 IDO1 (0.38) IDO1AVPR1APRSS1PRSS2PRSS3
SCHEMBL2802426 0.91 IDO1 (0.43) IDO1AVPR1APRSS1PRSS2PRSS3
SCHEMBL2799675 0.89 ALDH1A1 (0.34) KDM4EALDH1A1HPGD
SCHEMBL2803834 0.87 RBP4 (0.40) ALDH1A1CYP3A4
SCHEMBL2799683 0.86 IDO1 (0.42) IDO1AVPR1APRSS1PRSS2PRSS3
SCHEMBL2802503 0.86 CCR5 (0.34) KDM4EALDH1A1HPGDPDPK1PRKCZ
SCHEMBL2801130 0.85 CCR5 (0.35) KDM4EALDH1A1HPGDPDPK1PRKCZ

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 IDO1 2086/4885AVPR1A 4789/4885PRSS1 1048/4885

“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.