SCHEMBL2802503

SCHEMBL2802503

CS(=O)(=O)NC(=O)c1cnn2c(NCc3ccccc3)c(C(=O)N3CCC4(CC3)CSc3ccccc34)cnc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
MARK2 Q7KZI7 2/20 0.33
PDPK1 O15530 1/20 0.33
PRKCZ Q05513 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
VNN1 O95497 1/20 0.32
TACR1 P25103 1/20 0.32
CDK1 P06493 1/20 0.32
PIM1 P11309 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
GSK3A P49840 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
SCHEMBL2799515 0.91 ADORA3 (0.37) CYP1A2CYP2C19ALDH1A1KDM4EMARK2
SCHEMBL2803834 0.89 RBP4 (0.40) CYP1A2CYP2C19ALDH1A1TSHRTACR1
SCHEMBL2801109 0.87 CCNA2 (0.43) ALDH1A1KDM4EHPGDTSHRLMNA
SCHEMBL2801247 0.86 IDO1 (0.39) ALDH1A1KDM4EHPGDMARK2PDPK1
SCHEMBL2801692 0.86 AVPR1A (0.39) CCR5ALDH1A1KDM4EHPGDMARK2
SCHEMBL2801130 0.86 CCR5 (0.35) CCR5ALDH1A1KDM4EHPGDMARK2
SCHEMBL2803222 0.85 HSD11B1 (0.33) ALDH1A1KDM4EHPGDMARK2PDPK1
SCHEMBL2802406 0.85 MCHR2 (0.33) CCR5ALDH1A1KDM4EHPGDMARK2
SCHEMBL2803842 0.84 SCD5 (0.36) ALDH1A1KDM4EHPGDMARK2PDPK1
SCHEMBL2803194 0.84 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 4565/4885CYP1A2 1664/4885CYP2C19 3018/4885

“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.