SCHEMBL19003549

SCHEMBL19003549

CCCC(CCC)c1ccc(F)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL20372911 0.95 TAS1R3 (0.40) TAS1R3TAS1R1PDE4APDE4BPDE4C
SCHEMBL19098841 0.92 NR1I2 (0.38) TAS1R3TAS1R1
SCHEMBL20091067 0.87 CYP3A4 (0.39) CYP3A4TSHRPPARGPPARDPPARA
SCHEMBL21466452 0.87 NR1I2 (0.41)
SCHEMBL22350128 0.86 TAS1R3 (0.50) TAS1R3TAS1R1
SCHEMBL2499134 0.85 GAA (0.52) TAS1R3TAS1R1
SCHEMBL2497911 0.85 GAA (0.52) TAS1R3TAS1R1
SCHEMBL19098830 0.85 NR1I2 (0.39) TAS1R3TAS1R1PDE4D
SCHEMBL18948447 0.85 SMN1; SMN2 (0.40) TAS1R3TAS1R1PDE4APDE4BPDE4C
SCHEMBL22932925 0.84 PPARG (0.50) PDE4APDE4BPDE4CPDE4DPPARG

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-10189777-B2 Benzenesulfonamido and related compounds for use as agonists of RORγ and the treatment of disease LYCERA CORPORATION (US) 2019-01-29 US disclosed
US-20170190659-A1 BENZENESULFONAMIDO AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATMENT OF DISEASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-07-06 US disclosed
EP-2938344-B1 PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME (US) 2017-06-21 EP 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-10189777-B2 Benzenesulfonamido and related compounds for use as agonists of RORγ and the treatment of disease RORC, RORB, RORA TAS1R3 1210/4885TAS1R1 1109/4885PDE4A 2552/4885
US-20170190659-A1 BENZENESULFONAMIDO AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATMENT OF DISEASE RORB, RORA, RORC TAS1R3 1708/4885TAS1R1 1711/4885PDE4A 2257/4885

“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.