SCHEMBL777211

SCHEMBL777211

CC(C)Cc1ccc(OC(C)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.41
ACACB O00763 2/20 0.40
SLC6A4 P31645 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PTGS1 P23219 3/20 0.38
PTGS2 P35354 3/20 0.38
LMNA P02545 2/20 0.38
CYP2C9 P11712 2/20 0.38
AKR1C3 P42330 2/20 0.38
CXCR1 P25024 2/20 0.38
CXCR2 P25025 2/20 0.38
ALB P02768 1/20 0.38
ESR1 P03372 1/20 0.38
ALOX5 P09917 1/20 0.38
RARB P10826 1/20 0.38
ADRB3 P13945 1/20 0.38
NFKB1 P19838 1/20 0.38
HTR2A P28223 1/20 0.38
NR1I3 Q14994 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38

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
SCHEMBL1912504 0.86 ACACB (0.51) PTPN1ACACBSLC6A4ALDH1A1TSHR
SCHEMBL14944878 0.85 SLC6A4 (0.59) SLC6A4HTR2A
SCHEMBL6272156 0.84 ACACB (0.50) ACACBSLC6A4ALDH1A1PTGS1PTGS2
SCHEMBL12868287 0.83 TRPV1 (0.40) PTPN1ACACBSLC6A4ALDH1A1PTGS1
SCHEMBL14517854 0.79 SLC6A4 (0.39) ACACBSLC6A4ALDH1A1PTGS1PTGS2
SCHEMBL12844743 0.78 ACACB (0.40) ACACBSLC6A4PTGS1PTGS2LMNA
SCHEMBL777692 0.76 ESR1 (0.48) PTPN1SLC6A4ALDH1A1ESR1TSHR
SCHEMBL934447 0.76 PPARA (0.59) PTPN1SLC6A4ALDH1A1TSHR
SCHEMBL4218815 0.76 ALDH1A1 (0.41) PTPN1SLC6A4ALDH1A1TSHR
SCHEMBL30967134 0.76 MAOB (0.47)

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-20140275175-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-18 US disclosed
US-8778972-B2 5-pyridin-3-yl-1, 3-dihydro-indol-2-on derivatives and their use as modulators of aldosterone synthase and/or CYP11B1 NOVARTIS AG (CH) 2014-07-15 US disclosed
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 NOVARTIS AG (CH) 2012-03-22 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-20140275175-A1 ORGANIC COMPOUNDS CYP11B2, CYP11B1, SLCO1B1 PTPN1 3835/4885ACACB 663/4885SLC6A4 862/4885
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 CYP11B1, HSD11B1, CYP11B2 PTPN1 1504/4885ACACB 611/4885SLC6A4 1520/4885

“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.