SCHEMBL2736359

SCHEMBL2736359

COC(=O)[C@@H](N)Cc1cn(C)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
MAPT P10636 2/20 0.55
RECQL P46063 1/20 0.55
PTGS2 P35354 1/20 0.53
KDM4E B2RXH2 3/20 0.52
GPR84 Q9NQS5 1/20 0.50
NR4A2 P43354 1/20 0.50
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CA2 P00918 1/20 0.49
HTR2A P28223 1/20 0.49
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SCN9A Q15858 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
SCHEMBL31158206 1.00 ALDH1A1 (0.55) ALDH1A1MAPTRECQLPTGS2KDM4E
SCHEMBL1906547 1.00 ALDH1A1 (0.55) ALDH1A1MAPTRECQLPTGS2KDM4E
SCHEMBL1906546 1.00 ALDH1A1 (0.55) ALDH1A1MAPTRECQLPTGS2KDM4E
Hydrochloric Acid SCHEMBL4700254 0.99 ALDH1A1 (0.54) ALDH1A1MAPTRECQLPTGS2KDM4E
Hydrochloric Acid SCHEMBL27829206 0.99 ALDH1A1 (0.54) ALDH1A1MAPTRECQLPTGS2KDM4E
Hydrochloric Acid SCHEMBL1710809 0.99 ALDH1A1 (0.54) ALDH1A1MAPTRECQLPTGS2KDM4E
SCHEMBL21965973 0.89 ALDH1A1 (0.55) ALDH1A1MAPTRECQLPTGS2KDM4E
SCHEMBL23677906 0.88 ALDH1A1 (0.54) ALDH1A1MAPTRECQLKDM4EGPR84
SCHEMBL18395823 0.88 ALDH1A1 (0.54) ALDH1A1MAPTRECQLKDM4EGPR84
SCHEMBL30584520 0.88 ALDH1A1 (0.54) ALDH1A1MAPTRECQLKDM4EGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11224609-B2 Mithramycin derivatives having increased selectivity and anti-cancer activity UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2022-01-18 US disclosed
US-20190083519-A1 MITHRAMYCIN DERIVATIVES HAVING INCREASED SELECTIVITY AND ANTI-CANCER ACTIVITY UNITED STATES GOVERNMENT 2019-03-21 US disclosed
WO-2017035501-A1 SIALYLTRANSFERASE INHIBITORS AND USES THEREOF ACADEMIA SINICA (TW) 2017-03-02 WO disclosed
EP-2170851-B1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES INC (US) 2013-09-04 EP disclosed
US-8088770-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-8088770-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES,INC. (US) 2009-07-16 US disclosed
US-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES,INC. (US) 2009-07-16 US disclosed
WO-2009008989-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2009-01-15 WO 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-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics SLC10A1, SLC10A2, SLC26A4 ALDH1A1 1320/4885MAPT 1880/4885RECQL 3183/4885
US-11224609-B2 Mithramycin derivatives having increased selectivity and anti-cancer activity TFAM, ELF3, TEAD4 ALDH1A1 3204/4885MAPT 709/4885RECQL 4666/4885
US-20190083519-A1 MITHRAMYCIN DERIVATIVES HAVING INCREASED SELECTIVITY AND ANTI-CANCER ACTIVITY TFAM, ELF3, TEAD4 ALDH1A1 3204/4885MAPT 709/4885RECQL 4666/4885

“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.