SCHEMBL15946017

SCHEMBL15946017

CCCCc1cccc(NS(=O)(=O)C2CCCCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.45
BRPF1 P55201 1/20 0.44
BRD4 O60885 5/20 0.43
MAP2K4 P45985 1/20 0.43
HTR6 P50406 3/20 0.42
MLNR O43193 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GHSR Q92847 1/20 0.40
EPHX1 P07099 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL3125703 0.87 HTR6 (0.57) OPRM1BRPF1BRD4MAP2K4HTR6
SCHEMBL13355716 0.85 BRD4 (0.41) OPRM1BRPF1BRD4MAP2K4HTR6
SCHEMBL2150876 0.82 EPHX1 (0.46) HTR6SMN1; SMN2EPHX1EPHX2
SCHEMBL13355600 0.81 HTR6 (0.54) OPRM1BRPF1BRD4MAP2K4HTR6
SCHEMBL15946037 0.81 MEN1 (0.46) OPRM1HTR6MLNRSMN1; SMN2GHSR
SCHEMBL13469209 0.79 OPRM1 (0.54) OPRM1BRPF1SMN1; SMN2
SCHEMBL2151236 0.79 CA1 (0.45) EPHX1
SCHEMBL10235940 0.77 XIAP (0.40)
SCHEMBL14582136 0.76 SMN1; SMN2 (0.59) OPRM1BRPF1BRD4MAP2K4SMN1; SMN2
SCHEMBL13565390 0.76 HPGD (0.49) HTR6MLNRSMN1; SMN2GHSREPHX1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-05-26 US disclosed
US-9193669-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-11-24 US disclosed
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-08-14 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 (2 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-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 OPRM1 4519/4885BRPF1 3793/4885BRD4 2332/4885
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 OPRM1 4519/4885BRPF1 3793/4885BRD4 2332/4885

“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.