SCHEMBL2801130

SCHEMBL2801130

CS(=O)(=O)NC(=O)c1cnn2c(NCc3ccccc3)c(C(=O)N3CCC4(CC3)CS(=O)(=O)c3ccccc34)cnc12

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 9/20 0.35
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
MARK2 Q7KZI7 2/20 0.32
PDPK1 O15530 1/20 0.32
PRKCZ Q05513 1/20 0.32
MAPK13 O15264 1/20 0.32
LIMK1 P53667 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
CA9 Q16790 1/20 0.32
NPY5R Q15761 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
SCHEMBL2803834 0.87 RBP4 (0.40) ALDH1A1
SCHEMBL2802503 0.86 CCR5 (0.34) CCR5ALDH1A1KDM4EHPGDMARK2
SCHEMBL2801692 0.85 AVPR1A (0.39) CCR5ALDH1A1KDM4EHPGDMARK2
SCHEMBL2801247 0.85 IDO1 (0.39) ALDH1A1KDM4EHPGDMARK2PDPK1
SCHEMBL2803222 0.85 HSD11B1 (0.33) ALDH1A1KDM4EHPGDMARK2PDPK1
SCHEMBL2802406 0.85 MCHR2 (0.33) CCR5ALDH1A1KDM4EHPGDMARK2
SCHEMBL2804011 0.84 NPY5R (0.42) NPY5R
SCHEMBL2799969 0.84 ALDH1A1 (0.34) ALDH1A1KDM4EHPGDMARK2PDPK1
SCHEMBL2803842 0.83 SCD5 (0.36) ALDH1A1KDM4EHPGDMARK2PDPK1
SCHEMBL2803194 0.83 AVPR1A (0.45)

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 CCR5 4565/4885ALDH1A1 243/4885KDM4E 3180/4885

“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.