SCHEMBL2799602

SCHEMBL2799602

CCS(=O)(=O)NC(=O)c1cnn2c(Nc3cc(C)ccc3F)c(C(=O)N3CCC4(CC3)COc3cc(F)ccc34)cnc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.33
TDO2 P48775 3/20 0.33
ALDH1A1 P00352 9/20 0.33
PDE2A O00408 2/20 0.32
KDM4E B2RXH2 2/20 0.32
TLR4 O00206 1/20 0.32
PDE10A Q9Y233 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
AVPR1A P37288 1/20 0.31
LMNA P02545 1/20 0.30
CNR1 P21554 1/20 0.30
USP2 O75604 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL2801581 0.95 ALDH1A1 (0.33) IDO1TDO2ALDH1A1KDM4ETLR4
SCHEMBL2800047 0.94 IDO1 (0.34) IDO1TDO2ALDH1A1PDE2AKDM4E
SCHEMBL2803198 0.92 ALDH1A1 (0.34) IDO1TDO2ALDH1A1KDM4ETLR4
SCHEMBL2803189 0.90 PDE4B (0.36) IDO1TDO2ALDH1A1KDM4E
SCHEMBL2802330 0.90 IDO1 (0.36) IDO1TDO2ALDH1A1PDE2AKDM4E
SCHEMBL2802360 0.89 KDM4E (0.36) IDO1TDO2ALDH1A1KDM4EAVPR1A
SCHEMBL2803802 0.86 AVPR1A (0.37) IDO1ALDH1A1KDM4ETLR4AVPR1A
SCHEMBL2801429 0.86 ALDH1A1 (0.32) IDO1TDO2ALDH1A1PDE2AKDM4E
SCHEMBL2798475 0.85 PRSS1 (0.37) ALDH1A1AVPR1AUSP2HPGDTSHR
SCHEMBL2800425 0.85 PDE2A (0.35) IDO1TDO2ALDH1A1PDE2AKDM4E

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 2086/4885TDO2 4557/4885ALDH1A1 243/4885

“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.