Sugi Predict

Sugi Predict / Compounds / SCHEMBL18908259

SCHEMBL18908259

SCHEMBL18908259

COc1ccc(F)cc1C(CO)CCCOCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ GBA1 P04062 3/20 0.38
▸ UGCG Q16739 3/20 0.38
▸ GBA2 Q9HCG7 3/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ FFAR1 O14842 1/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.37
▸ CHRM3 P20309 3/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ NR3C2 P08235 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 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
SCHEMBL18908255 0.83 NPSR1 (0.36) NR3C1NPSR1
SCHEMBL18908257 0.83 FFAR1 (0.41) NR3C1L3MBTL1TDP1SMN1; SMN2FFAR1
SCHEMBL8456922 0.73 HTT (0.47) L3MBTL1TDP1CYP2C19ALOX5POLB
SCHEMBL8148897 0.73 HTT (0.47) L3MBTL1TDP1CYP2C19ALOX5POLB
SCHEMBL18908296 0.73 ALDH1A1 (0.39) NR3C1SMN1; SMN2FFAR1FFAR4CYP3A4
SCHEMBL18908273 0.73 ALDH1A1 (0.39) NR3C1SMN1; SMN2FFAR1FFAR4CYP3A4
SCHEMBL23210176 0.70 SLC6A9 (0.45) L3MBTL1TDP1FFAR1FFAR4
SCHEMBL29619704 0.70 SLC6A9 (0.45) L3MBTL1TDP1FFAR1FFAR4
SCHEMBL4596807 0.70 SMN1; SMN2 (0.41) NR3C1L3MBTL1SMN1; SMN2FFAR1FFAR4
SCHEMBL20272903 0.69 L3MBTL1 (0.46) L3MBTL1TDP1GBA1UGCGGBA2

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 NR3C1 2527/4885L3MBTL1 2994/4885TDP1 3934/4885
US-10800791-B2 Triazole ACC inhibitors and uses thereof ACACA, ACACB, ACAT1 NR3C1 2527/4885L3MBTL1 2994/4885TDP1 3934/4885
US-20170166584-A1 TRIAZOLE ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT1 NR3C1 2527/4885L3MBTL1 2994/4885TDP1 3934/4885

“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.