SCHEMBL2803183

SCHEMBL2803183

CS(=O)(=O)NC(=O)c1cnn2c(NCC3CCCCC3)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 3/20 0.38
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
RBP4 P02753 1/20 0.36
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
SCN9A Q15858 1/20 0.35
HPGD P15428 1/20 0.35
SIRT5 Q9NXA8 1/20 0.35
SCD5 Q86SK9 1/20 0.35
F2RL1 P55085 1/20 0.35
KDM4E B2RXH2 1/20 0.35
EGLN1 Q9GZT9 2/20 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
SCHEMBL2798640 0.90 ADORA3 (0.43) SPRADORA3ADORA2AADORA1ALDH1A1
SCHEMBL2799687 0.88 STAT6 (0.40) SPRRBP4ALDH1A1L3MBTL1CA12
SCHEMBL2800629 0.86 ALDH1A1 (0.40) SPRRBP4ALDH1A1L3MBTL1CA12
SCHEMBL2801309 0.85 ADORA3 (0.39) SPRADORA3ADORA2AADORA1ALDH1A1
SCHEMBL2802186 0.84 VNN1 (0.43) ALDH1A1HPGDSCD5KDM4E
SCHEMBL2802763 0.84 SPR (0.39) SPRALDH1A1L3MBTL1HPGDSCD5
SCHEMBL2802391 0.83 SMN1; SMN2 (0.41) SPRALDH1A1HPGDKDM4EEGLN1
SCHEMBL2800864 0.83 CCR1 (0.42)
SCHEMBL2802693 0.83 TP53 (0.41) RBP4ALDH1A1EGLN1RAB9A
SCHEMBL2798553 0.82 THRB (0.37) SPRRBP4ALDH1A1L3MBTL1HPGD

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 SPR 2955/4885ADORA3 3783/4885ADORA2A 4017/4885

“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.