SCHEMBL18997474

SCHEMBL18997474

CC(=O)NC1CCN(C(=O)C(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
EPHX2 P34913 8/20 0.49
EPHX1 P07099 5/20 0.46
CXCR3 P49682 1/20 0.43
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40

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
SCHEMBL13223508 0.89 CA1 (0.49) ALDH1A1EPHX2EPHX1CA1CA2
SCHEMBL16368592 0.86 ALDH1A1 (0.49) ALDH1A1EPHX2EPHX1CXCR3LMNA
SCHEMBL4925631 0.84 EPHX2 (0.69) ALDH1A1EPHX2EPHX1
SCHEMBL23490137 0.84 EPHX1 (0.57) ALDH1A1EPHX2EPHX1DPP4DPP8
SCHEMBL21133374 0.81 ALDH1A1 (0.46) ALDH1A1EPHX2EPHX1CXCR3LMNA
SCHEMBL5537790 0.81 ALDH1A1 (0.47) ALDH1A1EPHX2EPHX1CXCR3DRD2
SCHEMBL9893075 0.80 EPHX2 (0.67) EPHX2EPHX1
SCHEMBL14679328 0.80 CTSK (0.55) ALDH1A1EPHX1CA1CA2
SCHEMBL5361247 0.79 EPHX2 (0.50) ALDH1A1EPHX2EPHX1CA1CA2
SCHEMBL18559935 0.79 EPHX2 (0.50) ALDH1A1EPHX2EPHX1CA1CA2

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
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-20210087167-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF Seal Rock Therapeutics, Inc. 2021-03-25 US disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 US 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 (4 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-20210087167-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF ATF1, MAP3K1, ROCK1 ALDH1A1 776/4885EPHX2 1997/4885EPHX1 921/4885
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 ALDH1A1 2765/4885EPHX2 2625/4885EPHX1 1313/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS ALDH1A1 3448/4885EPHX2 1805/4885EPHX1 999/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 ALDH1A1 2765/4885EPHX2 2625/4885EPHX1 1313/4885

“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.