SCHEMBL2801628

SCHEMBL2801628

CCOC(=O)c1cnn2c(Nc3ccccc3C)c(C(=O)N3CCC4(CC3)COc3ccc(F)cc34)cnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.38
PRSS1 P07477 4/20 0.38
PRSS2 P07478 4/20 0.38
PRSS3 P35030 4/20 0.38
KDM4E B2RXH2 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
AVPR1A P37288 1/20 0.35
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34

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
SCHEMBL2799126 0.91 PRSS1 (0.39) PRSS1PRSS2PRSS3ALDH1A1HSD17B10
SCHEMBL2799661 0.90 KDM4E (0.38) HPGDKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2798475 0.89 PRSS1 (0.37) HPGDPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL2801064 0.88 AVPR1A (0.39) HPGDPRSS1PRSS2PRSS3KDM4E
SCHEMBL2801683 0.88 KDM4E (0.36) HPGDKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2801241 0.87 KDM4E (0.41) HPGDPRSS1PRSS2PRSS3KDM4E
SCHEMBL2803190 0.87 AVPR1A (0.40) HPGDPRSS1PRSS2PRSS3KDM4E
SCHEMBL2798480 0.86 ALDH1A1 (0.37) HPGDKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2801500 0.86 ALDH1A1 (0.37) HPGDKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2801509 0.86 KDM4E (0.41) HPGDPRSS1PRSS2PRSS3KDM4E

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 HPGD 589/4885PRSS1 1048/4885PRSS2 1347/4885

“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.