SCHEMBL1349941

SCHEMBL1349941

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 10/20 0.40
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
GPR88 Q9GZN0 7/20 0.35
MAP2K2 P36507 2/20 0.33
BRAF P15056 1/20 0.33
MAPK1 P28482 1/20 0.33
MAP2K5 Q13163 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA4 P22748 2/20 0.32
CA9 Q16790 2/20 0.32

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
SCHEMBL1349938 1.00 MAP2K1 (0.40) MAP2K1S1PR1S1PR3GPR88MAP2K2
SCHEMBL1349944 1.00 MAP2K1 (0.40) MAP2K1S1PR1S1PR3GPR88MAP2K2
SCHEMBL1350905 0.90 MAP2K1 (0.35) MAP2K1S1PR1S1PR3GPR88CA12
SCHEMBL1350906 0.90 MAP2K1 (0.35) MAP2K1S1PR1S1PR3GPR88CA12
SCHEMBL1350902 0.90 MAP2K1 (0.35) MAP2K1S1PR1S1PR3GPR88CA12
SCHEMBL1351015 0.87 MAP2K1 (0.39) MAP2K1S1PR1S1PR3GPR88MAP2K2
SCHEMBL1351019 0.87 MAP2K1 (0.39) MAP2K1S1PR1S1PR3GPR88MAP2K2
SCHEMBL1351017 0.87 MAP2K1 (0.39) MAP2K1S1PR1S1PR3GPR88MAP2K2
SCHEMBL1352107 0.80 MAP2K1 (0.36) MAP2K1S1PR1S1PR3GPR88
SCHEMBL1352109 0.80 MAP2K1 (0.36) MAP2K1S1PR1S1PR3GPR88

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 MAP2K1 124/4885S1PR1 3674/4885S1PR3 3702/4885

“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.