Sugi Predict

Sugi Predict / Compounds / SCHEMBL18908296

SCHEMBL18908296

SCHEMBL18908296

COc1ccc(F)cc1[C@H](CO)OCC(C)COCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ SLC6A9 P48067 1/20 0.36
▸ SLC6A5 Q9Y345 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NR3C1 P04150 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ FFAR1 O14842 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ ACHE P22303 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ TAOK1 Q7L7X3 1/20 0.35
▸ TAOK3 Q9H2K8 1/20 0.35
▸ ALOX5 P09917 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ TACR1 P25103 1/20 0.34
▸ LMNA P02545 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
SCHEMBL18908273 1.00 ALDH1A1 (0.39) ALDH1A1SLC6A9SLC6A5SMN1; SMN2NR3C1
SCHEMBL18908294 0.83 FFAR1 (0.37) ALDH1A1SLC6A9SLC6A5SMN1; SMN2FFAR1
SCHEMBL18908266 0.81 KCNH2 (0.32) SMN1; SMN2KMT2AHTR2AHTR2CLMNA
SCHEMBL18908288 0.81 KCNH2 (0.32) SMN1; SMN2KMT2AHTR2AHTR2CLMNA
SCHEMBL18961622 0.80 PKM (0.45) ALDH1A1SMN1; SMN2NR3C1KMT2AFFAR1
SCHEMBL19361587 0.80 HTR2A (0.36) SMN1; SMN2HTR2AHTR2CLMNA
SCHEMBL19361586 0.74 KDM4E (0.38) FFAR1FFAR4HTR2AHTR2CMAPK1
SCHEMBL18821424 0.74 SLC6A9 (0.42) ALDH1A1SLC6A9SLC6A5SMN1; SMN2FFAR1
SCHEMBL18796914 0.74 SLC6A9 (0.42) ALDH1A1SLC6A9SLC6A5SMN1; SMN2FFAR1
SCHEMBL18908259 0.73 NR3C1 (0.39) SMN1; SMN2NR3C1FFAR1FFAR4CYP3A4

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 5 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
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 ALDH1A1 203/4885SLC6A9 3707/4885SLC6A5 3214/4885
US-10800791-B2 Triazole ACC inhibitors and uses thereof ACACA, ACACB, ACAT1 ALDH1A1 203/4885SLC6A9 3707/4885SLC6A5 3214/4885
US-20170166584-A1 TRIAZOLE ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT1 ALDH1A1 203/4885SLC6A9 3707/4885SLC6A5 3214/4885

“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.