SCHEMBL2558809

SCHEMBL2558809

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.40
CHRM1 P11229 1/20 0.40
TBXA2R P21731 1/20 0.40
ADRA1A P35348 1/20 0.40
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
CTH P32929 1/20 0.34
NAALAD2 Q9Y3Q0 1/20 0.34
EGLN1 Q9GZT9 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
KDM7A Q6ZMT4 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.32
PTGS2 P35354 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FFAR3 O14843 1/20 0.32

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
Succinic Acid SCHEMBL11669831 0.85 EGLN1 (0.45) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL496333 0.82 EGLN1 (0.37) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL7571808 0.81 HMGCR (0.37) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL23730547 0.80 CNR1 (0.32) ALDH1A1TDP1CNR1CNR2
Hydrochloric Acid SCHEMBL29277291 0.80 EGLN1 (0.36) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL1853322 0.79 LMNA (0.35) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL15542520 0.78 ALDH1A1 (0.34) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL93673 0.78 ALDH1A1 (0.35) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL18414852 0.78 MAOA (0.41) CNR1CNR2
SCHEMBL18509319 0.78 CTH (0.38) HMGCRCHRM1TBXA2RADRA1AALDH1A1

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 12 patents. 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
US-20190291045-A1 1-Amino-2-Methyl-2-Propanol Derivatives TPAT IP LLC 2019-09-26 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
US-10307707-B2 1-amino-2-methyl-2-propanol derivatives TPAT IP LLC 2019-06-04 US disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 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
US-6656946-B2 For treating diseases, particularly tumoral diseases, diseases of the lungs and respiratory tract BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-12-02 US disclosed
US-20020082271-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-06-27 US disclosed
US-6403580-B1 HAVING AN INHIBITORY EFFECT ON SIGNAL TRANSDUCTION MEDIATED BY TYROSINE KINASES, THE USE THEREOF FOR TREATING DISEASES, PARTICULARLY TUMORAL DISEASES, DISEASES OF THE LUNGS AND RESPIRATORY TRACT, AND THE PREPARATION THEREOF. BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-06-11 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 (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-10307707-B2 1-amino-2-methyl-2-propanol derivatives PNMT, PKD1, PKD2 HMGCR 3966/4885CHRM1 406/4885TBXA2R 299/4885
US-20020082271-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases MAP3K1, MAP3K19, MAP3K20 HMGCR 4810/4885CHRM1 1924/4885TBXA2R 817/4885
US-20190291045-A1 1-Amino-2-Methyl-2-Propanol Derivatives PNMT, PKD1, PKD2 HMGCR 3966/4885CHRM1 406/4885TBXA2R 299/4885

“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.