Sugi Predict

Sugi Predict / Compounds / SCHEMBL14948736

SCHEMBL14948736

SCHEMBL14948736

CCOC(=O)c1sc2[nH]c(=O)n(CC(=O)OC(C)(C)C)c(=O)c2c1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ ELANE P08246 1/20 0.35
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ MC4R P32245 1/20 0.32
▸ MEN1 O00255 4/20 0.32
▸ MAPT P10636 4/20 0.32
▸ RXFP1 Q9HBX9 2/20 0.32
▸ PPARG P37231 1/20 0.32
▸ NCOA2 Q15596 1/20 0.32
▸ ACACB O00763 1/20 0.32
▸ ACACA Q13085 1/20 0.32
▸ IGF1R P08069 1/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ GSK3A P49840 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31

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
SCHEMBL14945512 0.90 KMT2A (0.43) ALDH1A1KMT2AKDM4EHSD17B10MEN1
SCHEMBL16637451 0.86 ALDH1A1 (0.38) ALDH1A1KMT2AKDM4EHSD17B10MC4R
SCHEMBL14945515 0.80 ALDH1A1 (0.37) ALDH1A1KMT2AKDM4EHSD17B10ELANE
SCHEMBL14945627 0.80 KMT2A (0.41) ALDH1A1KMT2AKDM4EHSD17B10MEN1
SCHEMBL16637629 0.78 ACACB (0.52) ALDH1A1KMT2AHSD17B10MEN1MAPT
SCHEMBL20220589 0.78 QPCT (0.37) ALDH1A1KMT2AKDM4EHSD17B10ELANE
SCHEMBL14945670 0.78 ELANE (0.35) ALDH1A1KMT2AKDM4EHSD17B10ELANE
SCHEMBL14945517 0.76 ELANE (0.35) ALDH1A1KDM4EELANEMAPTRXFP1
SCHEMBL18097001 0.76 MAPT (0.43) ALDH1A1KMT2AKDM4EHSD17B10MC4R
SCHEMBL14950587 0.75 KMT2A (0.45) ALDH1A1KMT2AKDM4EHSD17B10MEN1

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-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
US-20190016732-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2019-01-17 — — 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-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 ALDH1A1 104/4885KMT2A 2071/4885KDM4E 2187/4885
US-20150203510-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ALDH1A1 104/4885KMT2A 2071/4885KDM4E 2187/4885
US-10472374-B2 ACC inhibitors and uses thereof ACACA, ACACB, ACAT2 ALDH1A1 104/4885KMT2A 2071/4885KDM4E 2187/4885
US-20190016732-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ALDH1A1 104/4885KMT2A 2071/4885KDM4E 2187/4885
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ALDH1A1 104/4885KMT2A 2071/4885KDM4E 2187/4885
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ALDH1A1 104/4885KMT2A 2071/4885KDM4E 2187/4885

“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.