SCHEMBL2802330

SCHEMBL2802330

Cc1ccc(F)c(Nc2c(C(=O)N3CCC4(CC3)COc3cc(F)ccc34)cnc3c(C(=O)O)cnn23)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.36
TDO2 P48775 4/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TLR4 O00206 1/20 0.35
CNR1 P21554 1/20 0.34
AVPR1A P37288 1/20 0.34
DHODH Q02127 3/20 0.33
PDE2A O00408 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
S1PR5 Q9H228 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 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
SCHEMBL2802251 0.94 TP53 (0.36) IDO1TDO2KDM4EALDH1A1TLR4
SCHEMBL2799864 0.93 IDO1 (0.37) IDO1TDO2KDM4EALDH1A1TLR4
SCHEMBL2801503 0.92 AVPR1A (0.42) IDO1TDO2KDM4EALDH1A1TLR4
SCHEMBL2802360 0.92 KDM4E (0.36) IDO1TDO2KDM4EALDH1A1AVPR1A
SCHEMBL2800575 0.91 ALDH1A1 (0.37) IDO1TDO2KDM4EALDH1A1TLR4
SCHEMBL2799530 0.90 IDO1 (0.36) IDO1TDO2KDM4EALDH1A1TLR4
SCHEMBL2799602 0.90 IDO1 (0.33) IDO1TDO2KDM4EALDH1A1TLR4
SCHEMBL2800889 0.89 PDE4B (0.39) IDO1TDO2KDM4EALDH1A1TLR4
SCHEMBL2801362 0.88 PDE4B (0.36) IDO1TDO2CNR1MAPT
SCHEMBL2800965 0.87 DHODH (0.35) KDM4EALDH1A1TLR4DHODHLMNA

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 4557/4885KDM4E 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.