SCHEMBL14948696

SCHEMBL14948696

CCCCOCCn1c(=O)[nH]c2sc(C(=O)OCC)c(C)c2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 1/20 0.43
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
MAPT P10636 6/20 0.40
RXFP1 Q9HBX9 2/20 0.40
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
ALDH1A1 P00352 6/20 0.39
HTT P42858 2/20 0.39
GLA P06280 1/20 0.39
RECQL P46063 1/20 0.39
KDM4E B2RXH2 4/20 0.38
GAA P10253 3/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
RAB9A P51151 2/20 0.36

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
SCHEMBL14945613 0.84 KMT2A (0.55) ADORA2BKMT2AMEN1ACACBACACA
SCHEMBL14945611 0.84 ADORA2B (0.54) ADORA2BKMT2AMEN1ACACBACACA
SCHEMBL5032099 0.83 MAPT (0.47) ADORA2BKMT2AMEN1ACACBACACA
SCHEMBL18137720 0.82 MAPT (0.39) ADORA2BKMT2AMEN1ACACBACACA
SCHEMBL14945614 0.81 ADORA2B (0.42) ADORA2BKMT2AMEN1ACACBACACA
SCHEMBL14950587 0.80 KMT2A (0.45) ADORA2BKMT2AMEN1ACACBACACA
SCHEMBL5133464 0.79 MAPT (0.48) KMT2AMEN1ACACBACACAMAPT
SCHEMBL14945618 0.79 KMT2A (0.40) ADORA2BKMT2AMEN1ACACBACACA
SCHEMBL14948748 0.78 KMT2A (0.41) ADORA2BKMT2AMEN1ACACBACACA
SCHEMBL14945639 0.78 KMT2A (0.40) ADORA2BKMT2AMEN1ACACBACACA

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-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 (2 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 ADORA2B 3395/4885KMT2A 2071/4885MEN1 4200/4885
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ADORA2B 3395/4885KMT2A 2071/4885MEN1 4200/4885

“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.