SCHEMBL4534790

SCHEMBL4534790

CC(C)OC(=O)[C@H](N)CO

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
SLC7A5 Q01650 1/20 0.34
LMNA P02545 2/20 0.33
PRKCA P17252 2/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
SLC1A1 P43005 2/20 0.32
HCAR2 Q8TDS4 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
SLC1A3 P43003 2/20 0.31
SLC1A2 P43004 2/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL2494012 1.00 TSHR (0.40) TSHRSLC7A5LMNAPRKCACYP4F2
SCHEMBL2494007 1.00 TSHR (0.40) TSHRSLC7A5LMNAPRKCACYP4F2
Hydrochloric Acid SCHEMBL10347382 0.98 TSHR (0.39) TSHRSLC7A5LMNAPRKCACYP4F2
Hydrochloric Acid SCHEMBL27626281 0.98 TSHR (0.39) TSHRSLC7A5LMNAPRKCACYP4F2
Hydrochloric Acid SCHEMBL7726108 0.98 TSHR (0.39) TSHRSLC7A5LMNAPRKCACYP4F2
SCHEMBL2812860 0.86 SLC7A5 (0.34) TSHRSLC7A5LMNAPRKCASLC1A1
SCHEMBL23743117 0.82 TSHR (0.37) TSHRSLC7A5LMNACYP4F2CYP4A11
SCHEMBL5654054 0.82 TSHR (0.37) TSHRSLC7A5LMNACYP4F2CYP4A11
SCHEMBL2214960 0.82 TSHR (0.37) TSHRSLC7A5LMNACYP4F2CYP4A11
SCHEMBL60923 0.82 TSHR (0.37) TSHRSLC7A5LMNACYP4F2CYP4A11

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-20210230111-A1 PROSTAGLANDIN F2 ALPHA DERIVATIVES FOR DECREASING INTRAOCULAR PRESSURE KOFF INVESTMENTS LLP (GB) 2021-07-29 US disclosed
US-20210106604-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2021-04-15 US disclosed
US-10780105-B2 Substituted nucleosides, nucleotides and analogs thereof Janssen Biopharma, Inc. (US) 2020-09-22 US disclosed
US-20200179428-A1 CYCLIC PHOSPHATE SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2020-06-11 US disclosed
US-20190054108-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2019-02-21 US disclosed
EP-2781522-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUND, ASYMMETRIC CATALYST, AND METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOPROPANE COMPOUND USING SAID CATALYST Sumitomo Chemical Company, Limited (JP) 2014-09-24 EP disclosed
US-7488755-B2 Derivatives of glycinergic R(+)-2-amino-3-hydroxypropanoic acid PRESTWICK PHARMACEUTICALS, INC. (US) 2009-02-10 US disclosed
US-20050261372-A1 Derivatives of glycinergic r(+)-2-amino-3-hydroxypropanoic acid ORAPHARMA, INC. 2005-11-24 US disclosed
EP-0186292-B1 TRIPEPTIDES AND SWEETENING AGENTS CONTAINING THE SAME AJINOMOTO CO., INC. (JP) 1990-05-16 EP disclosed
US-4780528-A Tripeptides and sweetening agents containing the same AJINOMOTO CO., INC. (JP) 1988-10-25 US disclosed
EP-0186292-A2 Tripeptides and sweetening agents containing the same AJINOMOTO CO., INC. (JP) 1986-07-02 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-20190054108-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B TSHR 2178/4885SLC7A5 382/4885LMNA 1273/4885
US-20200179428-A1 CYCLIC PHOSPHATE SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES PNP, TYMP, ENTPD5 TSHR 3213/4885SLC7A5 1366/4885LMNA 2555/4885
US-20050261372-A1 Derivatives of glycinergic r(+)-2-amino-3-hydroxypropanoic acid GLRA3, GLRA1, GLRA2 TSHR 1889/4885SLC7A5 458/4885LMNA 1379/4885
US-10780105-B2 Substituted nucleosides, nucleotides and analogs thereof PNP, NUDT1, NT5C3B TSHR 2178/4885SLC7A5 382/4885LMNA 1273/4885
US-20210230111-A1 PROSTAGLANDIN F2 ALPHA DERIVATIVES FOR DECREASING INTRAOCULAR PRESSURE PTGS1, PTGIS, PTGS2 TSHR 3106/4885SLC7A5 1996/4885LMNA 2354/4885
US-20210106604-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B TSHR 2178/4885SLC7A5 382/4885LMNA 1273/4885

“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.