SCHEMBL5531263

SCHEMBL5531263

CCO/C=C(/CC)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.42
GLO1 Q04760 1/20 0.42
SOAT1 P35610 1/20 0.41
ALDH1A1 P00352 5/20 0.39
CYP2D6 P10635 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 3/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
CYP2C9 P11712 2/20 0.35
HCAR2 Q8TDS4 1/20 0.34
MAPT P10636 3/20 0.34

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
SCHEMBL28450802 1.00 NPSR1 (0.42) NPSR1GLO1SOAT1ALDH1A1CYP2D6
SCHEMBL12737271 1.00 NPSR1 (0.42) NPSR1GLO1SOAT1ALDH1A1CYP2D6
SCHEMBL28400242 0.84 NPSR1 (0.37) NPSR1GLO1SOAT1ALDH1A1CYP2D6
SCHEMBL30788574 0.83 NPSR1 (0.39) NPSR1GLO1SOAT1ALDH1A1CYP2D6
SCHEMBL4051818 0.83 NPSR1 (0.39) NPSR1GLO1SOAT1ALDH1A1CYP2D6
SCHEMBL15424206 0.83 NPSR1 (0.39) NPSR1GLO1SOAT1ALDH1A1CYP2D6
SCHEMBL11325424 0.83 NPSR1 (0.36) NPSR1GLO1SOAT1ALDH1A1CYP2D6
SCHEMBL11325416 0.83 NPSR1 (0.36) NPSR1GLO1SOAT1ALDH1A1CYP2D6
SCHEMBL28537688 0.83 TSHR (0.39) SOAT1ALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL1622689 0.83 NPSR1 (0.42) NPSR1GLO1SOAT1ALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
US-20180207140-A1 Pyrazolopyrimidines as Inhibitors of Glucocorticoid Receptor Translocation Sanford Burnham Prebys Medical Discovery Institute 2018-07-26 US disclosed
US-9738655-B2 Tetrahydroisoquinolines containing substituted azoles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 US disclosed
US-9428510-B2 Derivatives of azaindazole or diazaindazole type for treating a cancer overexpressing Trk PIERRE FABRE MEDICAMENT (FR) 2016-08-30 US disclosed
US-9381195-B2 Derivatives of azaindazole or diazaindazole type for treating pain PIERRE FABRE MEDICAMENT (FR) 2016-07-05 US disclosed
US-20160145263-A1 TETRAHYDROISOQUINOLINES CONTAINING SUBSTITUTED AZOLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-05-26 US disclosed
US-20150266880-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING A CANCER OVEREXPRESSING Trk PIERRE FABRE MEDICAMENT (FR) 2015-09-24 US disclosed
US-20150190394-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING PAIN PIERRE FABRE MEDICAMENT (FR) 2015-07-09 US disclosed
US-8883821-B2 Substituted pyrazolo[3,4-b]pyridines as medicaments PIERRE FABRE MEDICAMENT (FR) 2014-11-11 US disclosed
US-8748612-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-10 US disclosed
US-20130178496-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2013-07-11 US disclosed
US-20130172360-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT PIERRE FABRE MEDICAMENT (FR) 2013-07-04 US disclosed
US-20130085144-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT PIERRE FABRE MEDICAMENT (FR) 2013-04-04 US disclosed
US-8410132-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-02 US disclosed
US-20130018070-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-17 US disclosed
US-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120108602-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2012-05-03 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 (11 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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors JAK1, JAK2, JAK3 NPSR1 3112/4885GLO1 3178/4885SOAT1 3990/4885
US-20120108602-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 DGAT1, DGAT2, SOAT1 NPSR1 2556/4885GLO1 576/4885SOAT1 3/4885
US-20180207140-A1 Pyrazolopyrimidines as Inhibitors of Glucocorticoid Receptor Translocation NR3C1, NR3C2, GRK3 NPSR1 679/4885GLO1 3604/4885SOAT1 1129/4885
US-20150266880-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING A CANCER OVEREXPRESSING Trk TTK, NTRK1, NTRK3 NPSR1 4500/4885GLO1 4386/4885SOAT1 3449/4885
US-20130085144-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT MAP2K5, MAP2K2, MAP2K3 NPSR1 3794/4885GLO1 2989/4885SOAT1 1126/4885
US-20150190394-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING PAIN SCN3A, ACHE, QDPR NPSR1 440/4885GLO1 3816/4885SOAT1 2612/4885
US-20130172360-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT MAP2K5, MAP2K2, MAP2K3 NPSR1 3794/4885GLO1 2989/4885SOAT1 1126/4885
US-20130178496-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, ABCB1, ABCC1 NPSR1 3557/4885GLO1 1627/4885SOAT1 530/4885
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC NPSR1 1754/4885GLO1 709/4885SOAT1 2997/4885
US-20130018070-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, ABCB1, ABCC1 NPSR1 3557/4885GLO1 1627/4885SOAT1 530/4885
US-20160145263-A1 TETRAHYDROISOQUINOLINES CONTAINING SUBSTITUTED AZOLES AS FACTOR XIA INHIBITORS TFPI2, TFPI, F12 NPSR1 2358/4885GLO1 4367/4885SOAT1 3611/4885

“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.