SCHEMBL1349671

SCHEMBL1349671

C[C@@H](c1ccccc1)[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(OCCOC(C)(C)C)cc1)c1nc(Cl)c(-c2ccc(I)cc2F)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 2/20 0.44
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
GPR88 Q9GZN0 2/20 0.35
MAP2K1 Q02750 1/20 0.33
SCN9A Q15858 1/20 0.33
PTPN1 P18031 2/20 0.33
GABRB1 P18505 1/20 0.32
GABRB2 P47870 1/20 0.32
HRH3 Q9Y5N1 3/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA4 P22748 2/20 0.31
CA9 Q16790 2/20 0.31
PRCP P42785 2/20 0.31

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
SCHEMBL1349670 1.00 S1PR3 (0.44) S1PR3CTSSCTSKGPR88MAP2K1
SCHEMBL1349672 1.00 S1PR3 (0.44) S1PR3CTSSCTSKGPR88MAP2K1
SCHEMBL3806048 0.94 S1PR3 (0.36) S1PR3GPR88MAP2K1CA12CA1
SCHEMBL3806041 0.94 S1PR3 (0.36) S1PR3GPR88MAP2K1CA12CA1
SCHEMBL3806038 0.94 S1PR3 (0.36) S1PR3GPR88MAP2K1CA12CA1
SCHEMBL1349938 0.77 MAP2K1 (0.40) S1PR3GPR88MAP2K1CA12CA1
SCHEMBL1349941 0.77 MAP2K1 (0.40) S1PR3GPR88MAP2K1CA12CA1
SCHEMBL1349944 0.77 MAP2K1 (0.40) S1PR3GPR88MAP2K1CA12CA1
SCHEMBL1350902 0.76 MAP2K1 (0.35) S1PR3GPR88MAP2K1CA12CA1
SCHEMBL1350905 0.76 MAP2K1 (0.35) S1PR3GPR88MAP2K1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063085-B2 Substituted hydantoins HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US disclosed
US-20090170920-A1 SUBSTITUTED HYDANTOINS CHEN SHAOQING 2009-07-02 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 (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-20090170920-A1 SUBSTITUTED HYDANTOINS HNMT, HRH3, BRAF S1PR3 3702/4885CTSS 1187/4885CTSK 1484/4885

“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.