Sugi Predict

Sugi Predict / Compounds / SCHEMBL4989310

SCHEMBL4989310

SCHEMBL4989310

CCC(CCc1ccc(F)c(F)c1)CC(CN)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.37
▸ MME P08473 5/20 0.36
▸ RIPK1 Q13546 1/20 0.34
▸ ACE P12821 1/20 0.34
▸ CPA1 P15085 1/20 0.34
▸ ACE2 Q9BYF1 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP3 P08254 1/20 0.34
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.32
▸ EPHX2 P34913 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ GRIK1 P39086 1/20 0.32
▸ GRIA1 P42261 1/20 0.32
▸ GRIA2 P42262 1/20 0.32
▸ GRIA3 P42263 1/20 0.32
▸ GRIA4 P48058 1/20 0.32
▸ GRIK2 Q13002 1/20 0.32
▸ GRIK3 Q13003 1/20 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
SCHEMBL4986369 0.93 GRIK1 (0.38) DPP4MMERIPK1ACECPA1
SCHEMBL4988034 0.87 MME (0.39) DPP4MMERIPK1ACECPA1
SCHEMBL4990023 0.86 MMP3 (0.42) DPP4MMEMMP2MMP3GRIK1
SCHEMBL4989841 0.85 DPP4 (0.40) DPP4MMEMAOAMAOB
SCHEMBL4990575 0.84 TAAR1 (0.43) MMP2MMP3PPARG
SCHEMBL4984822 0.84 KDM4E (0.43) BACE1
SCHEMBL4990866 0.84 SMN1; SMN2 (0.39) MMP2MMP3PPARGGRIK1GRIA1
SCHEMBL4987270 0.83 PPARG (0.44) DPP4MMEMMP2MMP3EPHX2
SCHEMBL4984221 0.83 CPB2 (0.33) MMP2MMP3EPHX2PPARGGRIK1
SCHEMBL4981803 0.82 PNMT (0.42) GRIK1GRIK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 — — US claimed
US-7388023-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2008-06-17 — — US disclosed
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN WANER-LAMBERT COMPANY LLC (US) 2007-06-07 — — US disclosed
US-7179934-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2007-02-20 — — US disclosed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 — — US disclosed
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-05-12 — — 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-20050124668-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, SCN1A, OPRD1 DPP4 2680/4885MME 2393/4885RIPK1 4443/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A DPP4 3263/4885MME 2286/4885RIPK1 4295/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A DPP4 2672/4885MME 2084/4885RIPK1 4459/4885

“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.