SCHEMBL3249891

SCHEMBL3249891

COC(=O)CC(Br)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.44
ALDH1A1 P00352 3/20 0.44
LCK P06239 1/20 0.39
PPARD Q03181 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SLC1A1 P43005 1/20 0.36
KCNA5 P22460 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.35
THRB P10828 1/20 0.35
RECQL P46063 1/20 0.35
CYP2C19 P33261 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33

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
SCHEMBL8899182 1.00 TSHR (0.44) TSHRALDH1A1LCKPPARDZDHHC20
SCHEMBL27848612 0.82 TSHR (0.39) TSHRALDH1A1HSD17B10MGAMGAA
SCHEMBL1413253 0.81 MGAM (0.44) TSHRALDH1A1HSD17B10MGAMGAA
SCHEMBL11274143 0.81 ZDHHC7 (0.48) TSHRHSD17B10MGAMGAASI
SCHEMBL8896554 0.79 TSHR (0.40) TSHRALDH1A1HSD17B10MGAMGAA
SCHEMBL11495744 0.79 TSHR (0.40) TSHRALDH1A1HSD17B10MGAMGAA
SCHEMBL17841947 0.77 ALDH1A1 (0.48) TSHRALDH1A1LCKPPARDZDHHC20
SCHEMBL133872 0.77 TSHR (0.39) TSHRALDH1A1HSD17B10MGAMGAA
SCHEMBL12451759 0.77 MGAM (0.41) TSHRALDH1A1HSD17B10MGAMGAA
SCHEMBL1444812 0.77 TET2 (0.39) TSHRALDH1A1HSD17B10MGAMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271237-A Substituted phenol derivative and use thereof 成都麻沸散医药科技有限公司 2024-07-02 CN disclosed
EP-3086814-B1 DRUG CONJUGATES (ADCS) WITH KINESIN SPINDEL PROTEIN (KSP) Bayer Pharma AG (DE) 2020-06-24 EP disclosed
US-10022453-B2 Antibody drug conjugates (ADCs) with kinesin spindel protein (KSP) BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-07-17 US disclosed
US-20180185510-A1 ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTI-B7H3-ANTIBODIES Bayer Pharma AG (DE) 2018-07-05 US disclosed
US-20180015176-A1 ANTIBODY-DRUG CONJUGATES (ADCS) OF KSP INHIBITORS WITH AGLYCOSYLATED ANTI-TWEAKR ANTIBODIES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-01-18 US disclosed
US-20160346402-A1 ANTIBODY DRUG CONJUGATES (ADCS) WITH KINESIN SPINDEL PROTEIN (KSP) BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-01 US disclosed
US-20160346402-A1 ANTIBODY DRUG CONJUGATES (ADCS) WITH KINESIN SPINDEL PROTEIN (KSP) BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-01 US disclosed
WO-2016096610-A1 ANTIBODY-DRUG CONJUGATES (ADCS) OF KSP INHIBITORS WITH AGLYCOSYLATED ANTI-TWEAKR ANTIBODIES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-23 WO disclosed
EP-1232157-B1 NON-AGGREGATING, NON-QUENCHING OLIGOMERS COMPRISING NUCLEOTIDE ANALOGUES; METHODS OF SYNTHESIS AND USE THEREOF EPOCH BIOSCIENCES INC (US) 2010-05-05 EP disclosed
US-6972328-B2 Non-aggregating non-quenching oligomer comprising nucelotide analogs, method of synthesis and use thereof EPOCH BIOSCIENCES, INC. (US) 2005-12-06 US disclosed
US-20050239121-A1 Non-aggregating non-quenching oligomers comprising nucleotide analogs; methods of synthesis and use thereof EPOCH BIOSCIENCES, INC. (US) 2005-10-27 US disclosed
US-20040116689-A1 Non-aggregating non-quenching oligomer comprising nucelotide analogs, method of synthesis and use thereof EPOCH BIOSCIENCES, INC. (US) 2004-06-17 US disclosed
US-6660845-B1 Peptide nucleic acids in which one or more purine bases are substituted by a pyrazolo(5,4-d)pyrimidine or by a 7-deazapurine purine analogue; improved hybridization analysis EPOCH BIOSCIENCES, INC. 2003-12-09 US disclosed
EP-1232157-A2 NON-AGGREGATING, NON-QUENCHING OLIGOMERS COMPRISING NUCLEOTIDE ANALOGUES; METHODS OF SYNTHESIS AND USE THEREOF Epoch Biosciences, Inc. (US) 2002-08-21 EP disclosed
WO-2001038584-A2 NON-AGGREGATING, NON-QUENCHING OLIGOMERS COMPRISING NUCLEOTIDE ANALOGUES; METHODS OF SYNTHESIS AND USE THEREOF EPOCH BIOSCIENCES, INC. (US) 2001-05-31 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 (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-20050239121-A1 Non-aggregating non-quenching oligomers comprising nucleotide analogs; methods of synthesis and use thereof RNGTT, PABPC4, ADAR TSHR 3713/4885ALDH1A1 2118/4885LCK 4386/4885
US-10022453-B2 Antibody drug conjugates (ADCs) with kinesin spindel protein (KSP) KIF5B, KIF23, KIF2C TSHR 4052/4885ALDH1A1 924/4885LCK 2753/4885
US-20180185510-A1 ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTI-B7H3-ANTIBODIES KIF23, KIF5B, KIF2C TSHR 3868/4885ALDH1A1 1644/4885LCK 1123/4885
US-20180015176-A1 ANTIBODY-DRUG CONJUGATES (ADCS) OF KSP INHIBITORS WITH AGLYCOSYLATED ANTI-TWEAKR ANTIBODIES TNFSF11, TNFRSF9, CD40 TSHR 2038/4885ALDH1A1 2346/4885LCK 1140/4885
US-20160346402-A1 ANTIBODY DRUG CONJUGATES (ADCS) WITH KINESIN SPINDEL PROTEIN (KSP) KIF5B, KIF23, KIF2C TSHR 4052/4885ALDH1A1 924/4885LCK 2753/4885

“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.