SCHEMBL19469482

SCHEMBL19469482

CC(C)(C(=O)O)c1ccc2c(c1)OCCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
LTB4R Q15722 3/20 0.47
LTB4R2 Q9NPC1 3/20 0.47
KDM4E B2RXH2 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ATM Q13315 1/20 0.46
TSHR P16473 2/20 0.46
TRPV1 Q8NER1 5/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
MTOR P42345 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CTNNB1 P35222 1/20 0.44

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
SCHEMBL10441731 0.90 ALDH1A1 (0.51) LTB4RLTB4R2CYP1A2CYP2C19TRPV1
SCHEMBL19469665 0.82 HDAC3 (0.44) LTB4RLTB4R2KDM4ERAB9ANPC1
SCHEMBL16595600 0.79 TRPV1 (0.48) PTGS1PTGS2KDM4ECYP1A2CYP2C19
SCHEMBL22839330 0.78 POLB (0.44) PTGS1PTGS2KDM4ECYP1A2CYP2C19
SCHEMBL84835 0.77 TRPV1 (0.49) TSHRTRPV1RAB9AMEN1MAPT
SCHEMBL29675894 0.77 CYP1A2 (0.55) KDM4ECYP1A2CYP2C19NPSR1ATM
SCHEMBL10594238 0.76 LTB4R (0.51) LTB4RLTB4R2TRPV1
SCHEMBL10544610 0.76 MEN1 (0.49) TRPV1RAB9ANPC1MEN1MAPT
SCHEMBL16310947 0.76 ALDH1A1 (0.44) TRPV1RAB9ANPC1MEN1MAPT
SCHEMBL8175237 0.75 ALDH1A1 (0.50) CYP1A2CYP2C19TRPV1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10118916-B2 Modulators of cystic fibrosis transmembrane conductance regulator protein ABBVIE S.Á.R.L. (LU) 2018-11-06 US disclosed
WO-2017187321-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AbbVie S.à.r.l. (LU) 2017-11-02 WO disclosed
US-20170305891-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN ABBVIE S.Á.R.L. (LU) 2017-10-26 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 (2 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-20170305891-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN CFTR, CHRM2, CHRM1 PTGS1 590/4885PTGS2 1545/4885LTB4R 189/4885
US-10118916-B2 Modulators of cystic fibrosis transmembrane conductance regulator protein CFTR, CHRM2, CHRM1 PTGS1 590/4885PTGS2 1545/4885LTB4R 189/4885

“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.