Sugi Predict

Sugi Predict / Compounds / SCHEMBL18908199

SCHEMBL18908199

SCHEMBL18908199

CCCC(=O)OC[C@H](O[C@H]1C[C@@H](OCc2ccccc2)C1)c1cc(F)ccc1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ FFAR1 O14842 2/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36
▸ ACACB O00763 2/20 0.35
▸ LMNA P02545 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ ACHE P22303 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ BCHE P06276 2/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33

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
SCHEMBL18908197 0.86 ACACB (0.35) FFAR4ACACB
SCHEMBL18908176 0.83 HTR2A (0.38) FFAR1FFAR4ACACBALDH1A1SMN1; SMN2
SCHEMBL18908200 0.83 HTR2A (0.38) FFAR1FFAR4ACACBALDH1A1SMN1; SMN2
SCHEMBL18908182 0.83 HTR2A (0.38) FFAR1FFAR4ACACBALDH1A1SMN1; SMN2
SCHEMBL18820764 0.83 HTR2A (0.38) FFAR1FFAR4ACACBALDH1A1SMN1; SMN2
SCHEMBL18821278 0.80 ACACB (0.43) ACACBSMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL18907643 0.80 ACACB (0.50) ACACBPDE4APDE4BPDE4CPDE4D
SCHEMBL18908294 0.79 FFAR1 (0.37) PTGDR2FFAR1FFAR4LMNAHTT
SCHEMBL18907743 0.78 ACACA (0.39) ACACBALDH1A1PDE4APDE4BPDE4C
SCHEMBL18908241 0.78 ACACA (0.39) ACACBALDH1A1PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10800791-B2 Triazole ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2020-10-13 — — US disclosed
US-20190241582-A1 Triazole ACC inhibitors and uses thereof Nimbus Apollo, Inc. 2019-08-08 — — US disclosed
US-20170166584-A1 TRIAZOLE ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2017-06-15 — — US disclosed
WO-2017091617-A1 TRIAZOLE ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC (US) 2017-06-01 — — 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-20190241582-A1 Triazole ACC inhibitors and uses thereof ACACA, ACACB, ACAT1 PTGDR2 3983/4885FFAR1 2886/4885FFAR4 2952/4885
US-10800791-B2 Triazole ACC inhibitors and uses thereof ACACA, ACACB, ACAT1 PTGDR2 3983/4885FFAR1 2886/4885FFAR4 2952/4885
US-20170166584-A1 TRIAZOLE ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT1 PTGDR2 3983/4885FFAR1 2886/4885FFAR4 2952/4885

“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.