SCHEMBL104234

SCHEMBL104234

COC(=O)CCCNC(C)C

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
CA12 O43570 4/20 0.47
CA14 Q9ULX7 4/20 0.47
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
EPHX2 P34913 4/20 0.45
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CA2 P00918 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL20991378 0.92 TSHR (0.54) TSHRCA12CA14CA7CA9
SCHEMBL18724781 0.92 TSHR (0.54) TSHRCA12CA14CA7CA9
SCHEMBL3989212 0.89 TSHR (0.57) TSHRCA12CA14CA7CA9
Hydrochloric Acid SCHEMBL5595765 0.86 TSHR (0.55) TSHRCA12CA14CA7CA9
SCHEMBL15782723 0.86 TSHR (0.46) TSHRCA12CA14CA7CA9
SCHEMBL27444159 0.83 LMNA (0.55) TSHREPHX2LMNAALDH1A1
SCHEMBL10001841 0.83 TSHR (0.38) TSHRCA12CA14CA7CA9
SCHEMBL3695439 0.82 EPHX2 (0.60) TSHREPHX2LMNAALDH1A1
SCHEMBL27756883 0.82 TSHR (0.52) TSHRCA12CA14CA7CA9
SCHEMBL12176701 0.82 CYP1A2 (0.52) TSHRALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023056033-A1 LIPID NANOPARTICLE COMPOSITIONS FOR DELIVERING CIRCULAR POLYNUCLEOTIDES ORNA THERAPEUTICS, INC. (US) 2023-04-06 WO disclosed
CN-106977584-B Compound for targeted ubiquitination degradation of PLK1 and BRD4 proteins and application thereof JILIN UNIVERSITY (CN) 2019-12-06 CN disclosed
US-10421778-B2 Isoform-selective lysine deacetylase inhibitors WASHINGTON UNIVERSITY (US) 2019-09-24 US disclosed
US-10246478-B2 Polyene macrolide derivative SHIONOGI & CO., LTD. (JP) 2019-04-02 US disclosed
WO-2018081480-A1 LIPID NANOPARTICLE FORMULATIONS Acuitas Therapeutics, Inc. (CA) 2018-05-03 WO disclosed
CN-106977584-A Target compound and its application of ubiquitination degraded PLK1 and BRD4 albumen 吉林大学 2017-07-25 CN disclosed
WO-2017117528-A1 LIPIDS AND LIPID NANOPARTICLE FORMULATIONS FOR DELIVERY OF NUCLEIC ACIDS Acuitas Therapeutics, Inc. (CA) 2017-07-06 WO disclosed
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-06 US disclosed
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-06 US disclosed
WO-2017042828-A2 PROCESS FOR THE PREPARATION OF SELEXIPAG AND INTERMEDIATES THEREOF MEGAFINE PHARMA (P) LTD. (IN) 2017-03-16 WO disclosed
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS GILEAD SCIENCES, INC. 2016-11-17 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-7250444-B2 Pyrrole-based HMG-CoA reductase inhibitors PFIZER INC. (US) 2007-07-31 US disclosed
US-7250444-B2 Pyrrole-based HMG-CoA reductase inhibitors PFIZER INC. (US) 2007-07-31 US disclosed
US-5618814-A Trisubstituted pyrimido [5,4-d] pyrimidines for modulating multi-drug resistance and pharmaceutical compositions containing these compounds DR. KARL THOMAE GMBH (DE) 1997-04-08 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 (5 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 TSHR 94/4885CA12 4580/4885CA14 4367/4885
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 TSHR 4491/4885CA12 3264/4885CA14 2571/4885
US-10246478-B2 Polyene macrolide derivative ERG28, RPL23, RPL10 TSHR 4491/4885CA12 3264/4885CA14 2571/4885
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS IDO1, IDO2, INMT TSHR 1752/4885CA12 4625/4885CA14 4607/4885
US-10421778-B2 Isoform-selective lysine deacetylase inhibitors DOT1L, KDM1A, HDAC1 TSHR 4222/4885CA12 4729/4885CA14 4761/4885

“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.