SCHEMBL2555145

SCHEMBL2555145

CC(C)(O)C(C)(C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ HMGCR P04035 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ TBXA2R P21731 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ TET2 Q6N021 1/20 0.35
▸ THRB P10828 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ FFAR3 O14843 1/20 0.31
▸ LCK P06239 1/20 0.31
▸ FYN P06241 1/20 0.31

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
SCHEMBL85493 0.81 TSHR (0.57) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL5464435 0.79 TSHR (0.56) TSHRALDH1A1HMGCRCHRM1TBXA2R
Ammonia Solution, Strong SCHEMBL28635068 0.77 TSHR (0.53) TSHRALDH1A1HMGCRCHRM1TBXA2R
Ammonia Solution, Strong SCHEMBL28635066 0.77 TSHR (0.53) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL27667108 0.76 TSHR (0.53) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL17373265 0.76 TSHR (0.53) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL3112519 0.76 TSHR (0.53) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL28302008 0.76 TSHR (0.53) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL301639 0.74 TSHR (0.50) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL14573217 0.74 TSHR (0.50) TSHRALDH1A1HMGCRCHRM1TBXA2R

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 — — US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 — — EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 — — EP disclosed
US-20180208609-A1 BORONATE ESTER COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-07-26 — — US disclosed
EP-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 — — EP disclosed
EP-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 — — EP disclosed
US-20180002350-A1 BORONATE ESTER COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-01-04 — — US disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 — — US disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 — — US disclosed
US-20130165390-A1 BORONATE ESTER COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 — — US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 — — EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 — — WO disclosed
CN-1934101-B Dehydrophenylahistine and analogs thereof and synthesis of dehydrophenylahistine and analogs thereof NEREUS PHARMACEUTICALS INC 2011-10-12 — — CN disclosed
CN-102164917-A Sulfonyl compounds that selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INT 2011-08-24 — — CN disclosed
CN-101633655-A Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof NEREUS PHARMACEUTICALS INC 2010-01-27 — — CN disclosed
US-20090325903-A1 BORONATE ESTER COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-12-31 — — US disclosed
CN-100540548-C Dehydrophenylahistine and analogs thereof and synthesis of dehydrophenylahistine and analogs thereof NEREUS PHARMACEUTICALS INC (US) 2009-09-16 — — CN disclosed
CN-1934101-A Dehydrophenylahistine and analogs thereof and synthesis of dehydrophenylahistine and analogs thereof NEREUS PHARMACEUTICALS INC (US) 2007-03-21 — — CN disclosed
CN-1684955-A Dehydrophenylahistine and analogs thereof and synthesis of dehydrophenylahistine and analogs thereof NEREUS PHARMACEUTICALS INC (US) 2005-10-19 — — CN 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-20090325903-A1 BORONATE ESTER COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF PSMB5, PSMB11, PSMB3 TSHR 3330/4885ALDH1A1 3884/4885HMGCR 613/4885
US-20180002350-A1 BORONATE ESTER COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF PSMB5, PSMB11, PSMB3 TSHR 3330/4885ALDH1A1 3884/4885HMGCR 613/4885
US-20180208609-A1 BORONATE ESTER COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF PSMB5, PSMB11, PSMB3 TSHR 3330/4885ALDH1A1 3884/4885HMGCR 613/4885
US-20130165390-A1 BORONATE ESTER COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF PSMB5, PSMB11, PSMB3 TSHR 3330/4885ALDH1A1 3884/4885HMGCR 613/4885

“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.

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