Sugi Predict

Sugi Predict / Compounds / SCHEMBL14945265

SCHEMBL14945265

SCHEMBL14945265

C[C@H](COC1CCCCO1)O[C@@H](CO)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 2/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ HPGD P15428 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ PTGER4 P35408 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ GSR P00390 1/20 0.33
▸ EP300 Q09472 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ PLK1 P53350 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
SCHEMBL14945274 1.00 SLC6A3 (0.39) SLC6A3MEN1KMT2AKDM4CHPGD
SCHEMBL14945232 0.85 SLC6A3 (0.39) SLC6A3MEN1KMT2AKDM4CHPGD
SCHEMBL5160815 0.79 SLC6A3 (0.43) SLC6A3MEN1KMT2AKDM4CHPGD
SCHEMBL5570712 0.79 SLC6A3 (0.43) SLC6A3MEN1KMT2AKDM4CHPGD
SCHEMBL14233518 0.79 SLC6A3 (0.43) SLC6A3MEN1KMT2AKDM4CHPGD
SCHEMBL5160820 0.79 SLC6A3 (0.43) SLC6A3MEN1KMT2AKDM4CHPGD
SCHEMBL14945228 0.79 MEN1 (0.44) SLC6A3MEN1KMT2AKDM4CHPGD
SCHEMBL17844317 0.77 MEN1 (0.43) SLC6A3MEN1KMT2AKDM4CHPGD
SCHEMBL17835751 0.77 MEN1 (0.43) SLC6A3MEN1KMT2AKDM4CHPGD
SCHEMBL12408482 0.74 MEN1 (0.33) MEN1KMT2AKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944655-B2 ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2018-04-17 — — US 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-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
US-8969557-B2 ACC inhibitors and uses thereof Nimbus Apollo, Inc. (US) 2015-03-03 — — US disclosed
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 — — US 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 (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-20150203510-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 SLC6A3 4276/4885MEN1 4200/4885KMT2A 2071/4885
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 SLC6A3 4276/4885MEN1 4200/4885KMT2A 2071/4885
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 SLC6A3 4276/4885MEN1 4200/4885KMT2A 2071/4885

“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.