SCHEMBL14945647

SCHEMBL14945647

CCc1sc2[nH]c(=O)n(CCO[Si](C)(C)C(C)(C)C)c(=O)c2c1C

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DUT P33316 2/20 0.37
ADORA2B P29275 5/20 0.33
QPCT Q16769 5/20 0.32
ADORA3 P0DMS8 2/20 0.32
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 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
SCHEMBL14945614 0.82 ADORA2B (0.42) ADORA2BRXFP1
SCHEMBL14945705 0.77 ADORA2B (0.56) DUTADORA2BRXFP1
SCHEMBL2774758 0.77 ALDH1A1 (0.46) DUTQPCTADORA1
SCHEMBL14945618 0.77 KMT2A (0.40) DUTADORA2BRXFP1
SCHEMBL14945639 0.76 KMT2A (0.40) DUTADORA2BRXFP1
SCHEMBL14945670 0.73 ELANE (0.35) RXFP1
SCHEMBL14945675 0.67 ADORA2B (0.47) ADORA2B
SCHEMBL14945492 0.67 ALDH1A1 (0.31) RXFP1
SCHEMBL20220634 0.67 ADORA2B (0.43) ADORA2B
SCHEMBL18959798 0.67 KDM4E (0.33)

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 5 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-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-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 DUT 619/4885ADORA2B 3395/4885QPCT 134/4885
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 DUT 619/4885ADORA2B 3395/4885QPCT 134/4885
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 DUT 619/4885ADORA2B 3395/4885QPCT 134/4885

“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.