Sugi Predict

Sugi Predict / Compounds / SCHEMBL3962865

SCHEMBL3962865

SCHEMBL3962865

C[C@@H](CCCc1cccc(F)c1)C[C@H](N)CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC1A1 P43005 2/20 0.43
▸ S1PR2 O95136 1/20 0.42
▸ S1PR1 P21453 1/20 0.42
▸ TAAR1 Q96RJ0 2/20 0.40
▸ FFAR1 O14842 1/20 0.39
▸ PTGER1 P34995 1/20 0.39
▸ PTGFR P43088 1/20 0.39
▸ PTGER3 P43115 1/20 0.39
▸ GRIK1 P39086 1/20 0.39
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ DPP7 Q9UHL4 1/20 0.38

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
SCHEMBL5983061 1.00 SLC1A1 (0.43) SLC1A1S1PR2S1PR1TAAR1FFAR1
SCHEMBL5983801 1.00 SLC1A1 (0.43) SLC1A1S1PR2S1PR1TAAR1FFAR1
SCHEMBL3955388 1.00 SLC1A1 (0.43) SLC1A1S1PR2S1PR1TAAR1FFAR1
SCHEMBL3959594 1.00 SLC1A1 (0.43) SLC1A1S1PR2S1PR1TAAR1FFAR1
SCHEMBL3966151 0.86 S1PR2 (0.43) S1PR2S1PR1TAAR1FFAR1GRIK1
SCHEMBL3958700 0.86 S1PR2 (0.43) S1PR2S1PR1TAAR1FFAR1GRIK1
SCHEMBL5983679 0.86 S1PR2 (0.43) S1PR2S1PR1TAAR1FFAR1GRIK1
SCHEMBL3962878 0.86 S1PR2 (0.43) S1PR2S1PR1TAAR1FFAR1GRIK1
SCHEMBL5982278 0.86 S1PR2 (0.43) S1PR2S1PR1TAAR1FFAR1GRIK1
SCHEMBL4002242 0.86 S1PR2 (0.52) S1PR2S1PR1GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1492761-B1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN WARNER LAMBERT CO (US) 2009-07-22 — — EP disclosed
US-7517909-B2 Amino acids with affinity for the α2δ-protein PFIZER INC (US) 2009-04-14 — — US disclosed
US-20060247282-A1 Methods for using amino acids with affinity for the alpha2delta-protein BRAMSON CANDACE 2006-11-02 — — US disclosed
US-7112610-B2 Methods for using amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2006-09-26 — — US disclosed
US-20060154972-A1 Amino acids with affinity for the alpha-2-delta-protein BARTA NANCY S 2006-07-13 — — US disclosed
US-7064147-B2 Amino acids with affinity for the α-2-delta-protein WARNER-LAMBERT COMPANY (US) 2006-06-20 — — US disclosed
US-20050124669-A1 Methods for using amino acids with affinity for the alpha2delta-protein BRAMSON CANDACE (US) 2005-06-09 — — 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 (3 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-20050124669-A1 Methods for using amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A SLC1A1 94/4885S1PR2 3566/4885S1PR1 4618/4885
US-20060154972-A1 Amino acids with affinity for the alpha-2-delta-protein SCN2A, OPRD1, SCN1A SLC1A1 97/4885S1PR2 3482/4885S1PR1 4491/4885
US-20060247282-A1 Methods for using amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A SLC1A1 94/4885S1PR2 3566/4885S1PR1 4618/4885

“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.