SCHEMBL14945530

SCHEMBL14945530

Cc1c(Br)sc2[nH]c(=O)n(CC(=O)O)c(=O)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 1/20 0.35
GRIA4 P48058 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 1/20 0.35
ADORA2B P29275 1/20 0.34
ALDH1A1 P00352 5/20 0.33
LMNA P02545 1/20 0.33
NOTUM Q6P988 1/20 0.33
AKR1B10 O60218 3/20 0.32
MAPT P10636 1/20 0.32
RXFP1 Q9HBX9 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
SCHEMBL14945533 0.88 ALDH1A1 (0.34) SMN1; SMN2TP53ADORA2BALDH1A1LMNA
SCHEMBL7593499 0.84 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1LMNAMAPTRXFP1
SCHEMBL5035308 0.82 MAPT (0.38) SMN1; SMN2ADORA2BALDH1A1LMNAMAPT
SCHEMBL14945517 0.82 ELANE (0.35) ALDH1A1MAPTRXFP1KDM4E
SCHEMBL19924064 0.81 GRIN2D (0.34) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL5129502 0.80 MAPT (0.41) SMN1; SMN2ADORA2BALDH1A1LMNAMAPT
SCHEMBL14945539 0.80 KDM4E (0.30) ALDH1A1KMT2AKDM4E
SCHEMBL5133070 0.79 PDE1A (0.35) SMN1; SMN2ADORA2BALDH1A1LMNAKMT2A
SCHEMBL14950587 0.78 KMT2A (0.45) ADORA2BALDH1A1LMNAMAPTRXFP1
SCHEMBL5133382 0.78 MAPT (0.43) SMN1; SMN2ADORA2BALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3329919-B1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO LLC (US) 2019-11-06 EP 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-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-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
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
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 GRIN2D 3762/4885GRIN3B 3175/4885GRIA1 3007/4885
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 GRIN2D 3762/4885GRIN3B 3175/4885GRIA1 3007/4885
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 GRIN2D 3762/4885GRIN3B 3175/4885GRIA1 3007/4885

“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.