SCHEMBL18907710

SCHEMBL18907710

CCCC(=O)OC[C@H](OC(C)C)c1cc(F)ccc1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42
PPARG P37231 3/20 0.41
FFAR4 Q5NUL3 4/20 0.40
FFAR1 O14842 2/20 0.40
MRGPRX4 Q96LA9 2/20 0.40
AKR1C3 P42330 2/20 0.39
LRRK2 Q5S007 2/20 0.39
MTNR1A P48039 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL18907696 0.86 FAAH (0.38) PPARGL3MBTL1MAPTTDP1
SCHEMBL18972304 0.86 SLC6A9 (0.43) SLC6A9SLC6A5PPARGFFAR4FFAR1
SCHEMBL18821425 0.85 SLC6A9 (0.42) SLC6A9SLC6A5PPARGFFAR4FFAR1
SCHEMBL18914272 0.84 ALOX15 (0.36) FFAR4FFAR1KDM4E
SCHEMBL18907708 0.81 SLC6A9 (0.42) SLC6A9SLC6A5FFAR4FFAR1MRGPRX4
SCHEMBL18907703 0.81 SLC6A9 (0.42) SLC6A9SLC6A5FFAR4FFAR1MRGPRX4
SCHEMBL18961591 0.80 SMN1; SMN2 (0.35) FFAR4FFAR1MAPTSMN1; SMN2TDP1
SCHEMBL18908199 0.75 PTGDR2 (0.36) SLC6A9SLC6A5FFAR4FFAR1CYP2C19
SCHEMBL28332606 0.74 SLC6A9 (0.52) SLC6A9SLC6A5FFAR4FFAR1MRGPRX4
SCHEMBL18907913 0.74 CNR2 (0.37) PPARGL3MBTL1TDP1

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 SLC6A9 3707/4885SLC6A5 3214/4885PPARG 371/4885
US-10800791-B2 Triazole ACC inhibitors and uses thereof ACACA, ACACB, ACAT1 SLC6A9 3707/4885SLC6A5 3214/4885PPARG 371/4885
US-20170166584-A1 TRIAZOLE ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT1 SLC6A9 3707/4885SLC6A5 3214/4885PPARG 371/4885

“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.