SCHEMBL1590140

SCHEMBL1590140

CCC(C(=O)O)c1ccc(N2C(=O)c3c(c(O)c4ccccc4c3O)C2=O)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.39
ADRA1A P35348 1/20 0.39
AKR1C3 P42330 9/20 0.39
AKR1C2 P52895 9/20 0.39
PTGS1 P23219 2/20 0.39
CHRM1 P11229 1/20 0.39
KCNQ2 O43526 2/20 0.38
AKR1C1 Q04828 1/20 0.38
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
PTGER4 P35408 1/20 0.35
CYP3A4 P08684 1/20 0.34
NFKB1 P19838 1/20 0.34
PMP22 Q01453 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
GRM1 Q13255 1/20 0.34
GRM4 Q14833 1/20 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
SCHEMBL1590718 0.91 PTGER4 (0.45) HTR1AADRA1AAKR1C3AKR1C2PTGS1
SCHEMBL1590405 0.91 PTGER4 (0.36) HTR1AADRA1AAKR1C3AKR1C2PTGS1
SCHEMBL1590807 0.90 PTGER4 (0.39) HTR1AADRA1AAKR1C3AKR1C2PTGS1
SCHEMBL1590179 0.87 AKR1C3 (0.47) HTR1AADRA1AAKR1C3AKR1C2PTGS1
SCHEMBL1590785 0.83 AKR1C3 (0.37) HTR1AADRA1AAKR1C3AKR1C2PTGS1
SCHEMBL1590264 0.83 PTGER4 (0.42) HTR1AADRA1AAKR1C3AKR1C2PTGS1
SCHEMBL1591198 0.81 HTR1A (0.52) HTR1AADRA1AAKR1C3AKR1C2PTGS1
SCHEMBL2428776 0.81 AKR1C3 (0.42) HTR1AADRA1AAKR1C3AKR1C2AKR1C1
SCHEMBL1590313 0.80 PTGER4 (0.36) HTR1AADRA1AAKR1C3AKR1C2PTGS1
SCHEMBL1591043 0.80 PTGER4 (0.47) PTGER4KDM4EALDH1A1HSD17B10

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-8207213-B2 Benzoisoindole derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
US-8026270-B2 Benzo [F] isoindoles as EP4 receptor agonists GLAXO GROUP LIMITED (GB) 2011-09-27 US disclosed
US-20110092561-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2011-04-21 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 (1 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-20110092561-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN OPRK1, OPRD1, OPRL1 HTR1A 49/4885ADRA1A 54/4885AKR1C3 885/4885

“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.