SCHEMBL14924729

SCHEMBL14924729

O=S(=O)(Oc1ccc2cccc(S)c2c1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.41
HTR1D P28221 4/20 0.41
HTR1B P28222 4/20 0.41
HSD11B1 P28845 1/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 1/20 0.39
HTR2C P28335 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
PPARG P37231 1/20 0.37
PDE4A P27815 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
CXCR2 P25025 2/20 0.35
CXCR1 P25024 1/20 0.35

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
SCHEMBL20719110 0.85 HTR1A (0.41) HTR1AHTR1DHTR1BHSD11B1CA1
SCHEMBL8016986 0.83 HTR1A (0.42) HTR1AHTR1DHTR1BHSD11B1CA1
SCHEMBL25632695 0.83 HTR1A (0.42) HTR1AHTR1DHTR1BHSD11B1CA1
SCHEMBL4542485 0.83 HTR1A (0.45) HTR1AHTR1DHTR1BHSD11B1CA1
SCHEMBL30290794 0.83 CA1 (0.46) HTR1AHTR1DHTR1BHSD11B1CA1
SCHEMBL25060822 0.82 CA1 (0.43) HTR1AHTR1DHTR1BHSD11B1CA1
SCHEMBL30380710 0.82 HTR1A (0.44) HTR1AHTR1DHTR1BHSD11B1CA1
SCHEMBL20719109 0.82 HTR1A (0.44) HTR1AHTR1DHTR1BHSD11B1CA1
SCHEMBL7358534 0.82 HTR1A (0.44) HTR1AHTR1DHTR1BHSD11B1CA1
SCHEMBL12465666 0.80 HPRT1 (0.44) HTR1AHTR1DHTR1BHSD11B1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079903-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2015-07-14 US disclosed
US-9079903-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2015-07-14 US disclosed
US-20130112946-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-05-09 US disclosed
US-20130112946-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-05-09 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-20130112946-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, NR2E3, CRY2 HTR1A 322/4885HTR1D 144/4885HTR1B 421/4885

“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.