Sugi Predict

Sugi Predict / Compounds / SCHEMBL4993183

SCHEMBL4993183

SCHEMBL4993183

CC[C@H](CO)Cc1ccc(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.41
▸ AGXT P21549 2/20 0.41
▸ RIPK1 Q13546 2/20 0.39
▸ DPP4 P27487 2/20 0.39
▸ DPP7 Q9UHL4 1/20 0.39
▸ PKM P14618 2/20 0.38
▸ MAOB P27338 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ TRPA1 O75762 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ MME P08473 1/20 0.34
▸ ACE P12821 1/20 0.34
▸ CPA1 P15085 1/20 0.34
▸ ACE2 Q9BYF1 1/20 0.34
▸ DPP8 Q6V1X1 1/20 0.34

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
SCHEMBL4993190 1.00 IDO1 (0.41) IDO1AGXTRIPK1DPP4DPP7
SCHEMBL19831725 0.89 IDO1 (0.46) IDO1AGXTRIPK1DPP4DPP7
SCHEMBL4986836 0.83 IDO1 (0.41) IDO1AGXTRIPK1DPP4DPP7
SCHEMBL31118285 0.83 IDO1 (0.44) IDO1AGXTRIPK1DPP4DPP7
SCHEMBL4986833 0.83 IDO1 (0.41) IDO1AGXTRIPK1DPP4DPP7
SCHEMBL31118237 0.83 IDO1 (0.44) IDO1AGXTRIPK1DPP4DPP7
SCHEMBL10586294 0.80 IDO1 (0.44) IDO1AGXTRIPK1DPP4DPP7
SCHEMBL31117996 0.80 IDO1 (0.39) IDO1AGXTRIPK1DPP4DPP7
SCHEMBL3904974 0.79 IDO1 (0.43) IDO1AGXTRIPK1DPP4DPP7
SCHEMBL26143857 0.79 IDO1 (0.43) IDO1AGXTRIPK1DPP4DPP7

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
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
EP-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 — — EP 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
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 — — WO 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 IDO1 3701/4885AGXT 4198/4885RIPK1 4443/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A IDO1 3093/4885AGXT 3726/4885RIPK1 4295/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A IDO1 3420/4885AGXT 3971/4885RIPK1 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.