Sugi Predict

Sugi Predict / Compounds / SCHEMBL3958006

SCHEMBL3958006

SCHEMBL3958006

Cc1ccc(CCC[C@@H](C)C[C@H](N)CC(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR2 O95136 2/20 0.53
▸ S1PR1 P21453 2/20 0.53
▸ S1PR3 Q99500 1/20 0.43
▸ DPP4 P27487 1/20 0.40
▸ GRIK1 P39086 1/20 0.40
▸ FFAR1 O14842 2/20 0.39
▸ IGF1R P08069 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ METAP2 P50579 1/20 0.38
▸ METAP1 P53582 1/20 0.38
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ MMP1 P03956 2/20 0.37
▸ MMP2 P08253 2/20 0.37
▸ MMP3 P08254 2/20 0.37
▸ PLAAT3 P53816 1/20 0.36
▸ PLAAT5 Q96KN8 1/20 0.36
▸ PLAAT2 Q9NWW9 1/20 0.36
▸ PLAAT4 Q9UL19 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL3967288 1.00 S1PR2 (0.53) S1PR2S1PR1S1PR3DPP4GRIK1
SCHEMBL5983380 1.00 S1PR2 (0.53) S1PR2S1PR1S1PR3DPP4GRIK1
SCHEMBL5983634 1.00 S1PR2 (0.53) S1PR2S1PR1S1PR3DPP4GRIK1
SCHEMBL3962574 1.00 S1PR2 (0.53) S1PR2S1PR1S1PR3DPP4GRIK1
SCHEMBL4002242 0.89 S1PR2 (0.52) S1PR2S1PR1GRIK1MMP2MMP3
SCHEMBL3967381 0.89 S1PR2 (0.52) S1PR2S1PR1GRIK1MMP2MMP3
SCHEMBL3962307 0.89 S1PR2 (0.52) S1PR2S1PR1GRIK1MMP2MMP3
SCHEMBL3965958 0.89 S1PR2 (0.52) S1PR2S1PR1GRIK1MMP2MMP3
SCHEMBL5983830 0.88 S1PR2 (0.52) S1PR2S1PR1S1PR3DPP4GRIK1
SCHEMBL3997989 0.88 S1PR2 (0.52) S1PR2S1PR1S1PR3DPP4GRIK1

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 S1PR2 3566/4885S1PR1 4618/4885S1PR3 4463/4885
US-20060154972-A1 Amino acids with affinity for the alpha-2-delta-protein SCN2A, OPRD1, SCN1A S1PR2 3482/4885S1PR1 4491/4885S1PR3 4446/4885
US-20060247282-A1 Methods for using amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A S1PR2 3566/4885S1PR1 4618/4885S1PR3 4463/4885

“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.