SCHEMBL12447235

SCHEMBL12447235

C[C@@H](CCN1CCOCC1)C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MEN1 O00255 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 6/20 0.53
EGFR P00533 1/20 0.50
TRPV4 Q9HBA0 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 2/20 0.47
POLB P06746 3/20 0.47
SIGMAR1 Q99720 1/20 0.47
NPC1 O15118 1/20 0.46
CASR P41180 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
SCHEMBL12447237 0.82 MEN1 (0.52) KMT2AMEN1NPSR1ALDH1A1EGFR
SCHEMBL27273354 0.81 SIRT2 (0.54) KMT2AMEN1NPSR1ALDH1A1EGFR
SCHEMBL12027622 0.79 MEN1 (0.59) KMT2AMEN1NPSR1ALDH1A1LMNA
SCHEMBL22648518 0.79 MEN1 (0.59) KMT2AMEN1NPSR1ALDH1A1LMNA
SCHEMBL13049037 0.79 MEN1 (0.59) KMT2AMEN1NPSR1ALDH1A1LMNA
SCHEMBL17955783 0.78 KMT2A (0.50) KMT2AMEN1NPSR1ALDH1A1EGFR
SCHEMBL27122575 0.78 ITGB3 (0.55) KMT2AMEN1NPSR1ALDH1A1
SCHEMBL26966086 0.78 ITGB3 (0.55) KMT2AMEN1NPSR1ALDH1A1
SCHEMBL10164382 0.78 SIRT2 (0.48) KMT2AMEN1NPSR1ALDH1A1TRPV4
SCHEMBL3997314 0.78 ALDH1A1 (0.62) KMT2AMEN1ALDH1A1EGFRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170158647-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2017-06-08 US disclosed
US-20160069915-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC, 2016-03-10 US disclosed
US-20150139948-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2015-05-21 US disclosed
US-20140017199-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2014-01-16 US disclosed
US-8486942-B2 Modulators of pharmacokinetic properties of therapeutics Gilead Sciencs, Inc. (US) 2013-07-16 US disclosed
US-20120237478-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2012-09-20 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 (4 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-20140017199-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 KMT2A 4509/4885MEN1 2787/4885NPSR1 1032/4885
US-20150139948-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 KMT2A 4509/4885MEN1 2787/4885NPSR1 1032/4885
US-20120237478-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 KMT2A 4509/4885MEN1 2787/4885NPSR1 1032/4885
US-20170158647-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 KMT2A 4509/4885MEN1 2787/4885NPSR1 1032/4885

“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.