Sugi Predict

Sugi Predict / Compounds / SCHEMBL14948660

SCHEMBL14948660

SCHEMBL14948660

CC(C)OC(CO)c1ccccc1OC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 3/20 0.43
▸ KCNK9 Q9NPC2 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ABCB1 P08183 2/20 0.35
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ RXRG P48443 1/20 0.34
▸ SLC6A2 P23975 3/20 0.33
▸ SLC6A4 P31645 3/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ VNN1 O95497 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ F2R P25116 1/20 0.33
▸ MME P08473 1/20 0.33
▸ PPARG P37231 1/20 0.32
▸ PPARD Q03181 1/20 0.32

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
SCHEMBL14945342 0.82 AGTR1 (0.45) KCNK3KCNK9L3MBTL1ABCB1SLC6A4
SCHEMBL14945341 0.82 AGTR1 (0.45) KCNK3KCNK9L3MBTL1ABCB1SLC6A4
SCHEMBL14945343 0.82 AGTR1 (0.45) KCNK3KCNK9L3MBTL1ABCB1SLC6A4
SCHEMBL14948739 0.80 ALOX12 (0.41) ALDH1A1ABCB1HPGDSMN1; SMN2
SCHEMBL14945351 0.80 ABCB1 (0.42) ALDH1A1L3MBTL1ABCB1HPGD
SCHEMBL1047240 0.75 KCNK3 (0.47) KCNK3KCNK9ALDH1A1L3MBTL1RXRA
SCHEMBL807278 0.75 KCNK3 (0.52) KCNK3KCNK9ALDH1A1L3MBTL1SLC6A2
SCHEMBL14945445 0.74 ESR1 (0.48) SLC6A2SLC6A4CYP2D6KCNH2GRIN1
SCHEMBL20534851 0.73 KCNK3 (0.46) KCNK3KCNK9L3MBTL1RXRARXRB
SCHEMBL19506515 0.72 TSHR (0.48) KCNK3KCNK9ALDH1A1L3MBTL1RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200102323-A1 ACC INHIBITORS AND USES THEREOF SCHRÖDINGER, INC. 2020-04-02 — — US disclosed
US-10472374-B2 ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2019-11-12 — — US disclosed
EP-3329919-B1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO LLC (US) 2019-11-06 — — EP disclosed
US-20190016732-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2019-01-17 — — US disclosed
EP-3329919-A1 ACC INHIBITORS AND USES THEREOF Gilead Apollo, LLC (US) 2018-06-06 — — EP disclosed
US-9944655-B2 ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2018-04-17 — — US disclosed
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC 2016-10-13 — — US disclosed
US-20150203510-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC 2015-07-23 — — US disclosed
US-8969557-B2 ACC inhibitors and uses thereof Nimbus Apollo, Inc. (US) 2015-03-03 — — US disclosed
WO-2013071169-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 — — WO disclosed
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 — — US 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 (6 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-20200102323-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 KCNK3 4127/4885KCNK9 4440/4885ALDH1A1 104/4885
US-20150203510-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 KCNK3 4127/4885KCNK9 4440/4885ALDH1A1 104/4885
US-10472374-B2 ACC inhibitors and uses thereof ACACA, ACACB, ACAT2 KCNK3 4127/4885KCNK9 4440/4885ALDH1A1 104/4885
US-20190016732-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 KCNK3 4127/4885KCNK9 4440/4885ALDH1A1 104/4885
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 KCNK3 4127/4885KCNK9 4440/4885ALDH1A1 104/4885
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 KCNK3 4127/4885KCNK9 4440/4885ALDH1A1 104/4885

“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.