SCHEMBL14948183

SCHEMBL14948183

CN1CC(Cc2ccccc2)C(C(=O)O)C1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.42
S1PR5 Q9H228 1/20 0.42
ABCB1 P08183 1/20 0.41

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
SCHEMBL7806032 0.86 SLC6A2 (0.47)
SCHEMBL5111159 0.86 MEN1 (0.46) S1PR5
SCHEMBL7079848 0.86 SLC6A2 (0.47)
SCHEMBL7078988 0.86 SLC6A2 (0.47)
SCHEMBL5111156 0.86 MEN1 (0.46) S1PR5
SCHEMBL23924336 0.81 PPARG (0.42) S1PR1S1PR5
SCHEMBL23924335 0.81 PPARG (0.42) S1PR1S1PR5
SCHEMBL13957385 0.80 KCNH2 (0.48) ABCB1
SCHEMBL3912727 0.79 S1PR5 (0.55) S1PR1S1PR5
SCHEMBL8226016 0.79 S1PR5 (0.55) S1PR1S1PR5

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
EP-1917020-B1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS INC (US) 2016-05-25 EP disclosed
US-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2013-05-16 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-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS MMAB, PTMS, DNPEP S1PR1 4082/4885S1PR5 3281/4885ABCB1 1214/4885

“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.