SCHEMBL2312705

SCHEMBL2312705

CCOC(=O)[C@H](OC)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.54
PKM P14618 1/20 0.51
LMNA P02545 1/20 0.51
PIN1 Q13526 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 3/20 0.47
GAA P10253 2/20 0.47
RECQL P46063 1/20 0.47
TSHR P16473 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL4599256 1.00 MMP8 (0.54) MMP8PKMLMNAPIN1KMT2A
SCHEMBL12951609 1.00 MMP8 (0.54) MMP8PKMLMNAPIN1KMT2A
SCHEMBL28263659 0.86 LMNA (0.51) PKMLMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL16672673 0.85 MMP8 (0.54) MMP8LMNAPIN1KMT2AMEN1
SCHEMBL17653672 0.85 MMP8 (0.54) MMP8LMNAPIN1KMT2AMEN1
SCHEMBL2064207 0.85 PKM (0.48) MMP8PKMLMNAPIN1KMT2A
SCHEMBL27652260 0.85 MMP8 (0.54) MMP8LMNAPIN1KMT2AMEN1
SCHEMBL13417663 0.84 MMP8 (0.53) MMP8LMNAPIN1KMT2AMEN1
SCHEMBL12987479 0.84 KMT2A (0.47) PKMLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL12987483 0.84 KMT2A (0.47) PKMLMNAKMT2AMEN1SMN1; SMN2

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 11 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
EP-3329919-B1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO LLC (US) 2019-11-06 EP 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
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 US disclosed
WO-2013071169-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 WO disclosed
US-20120270934-A1 PROSTACYCLIN DERIVATIVES CONCERT PHARMACEUTICALS, INC. 2012-10-25 US disclosed
EP-2220059-B1 2-AMINOOXAZOLE DERIVATIVES AS TRPVL ANTAGONISTS USEFUL FOR TREATING PAIN ABBOTT LAB (US) 2011-08-03 EP 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 MMP8 2246/4885PKM 1112/4885LMNA 3238/4885
US-20150203510-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 MMP8 2246/4885PKM 1112/4885LMNA 3238/4885
US-20190016732-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 MMP8 2246/4885PKM 1112/4885LMNA 3238/4885
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 MMP8 2246/4885PKM 1112/4885LMNA 3238/4885
US-20120270934-A1 PROSTACYCLIN DERIVATIVES PTGIS, PTGIR, PTGER1 MMP8 811/4885PKM 986/4885LMNA 2899/4885
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 MMP8 2246/4885PKM 1112/4885LMNA 3238/4885

“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.