SCHEMBL17829433

SCHEMBL17829433

O=S(=O)(Oc1ccc2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.44
CA1 P00915 5/20 0.44
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
CYP11B2 P19099 2/20 0.37
CYP11B1 P15538 1/20 0.37
CA9 Q16790 3/20 0.37
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
PTK2 Q05397 1/20 0.36
CA12 O43570 2/20 0.36
PPARG P37231 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
TP53 P04637 2/20 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
SCHEMBL17829449 0.98 CA2 (0.46) CA2CA1PIK3CDPIK3CAPIK3CB
SCHEMBL17829440 0.95 CA1 (0.43) CA2CA1PIK3CDPIK3CAPIK3CB
SCHEMBL17829442 0.95 CA1 (0.43) CA2CA1PIK3CDPIK3CAPIK3CB
SCHEMBL25453605 0.89 CA2 (0.44) CA2CA1PIK3CDPIK3CAPIK3CB
SCHEMBL17655915 0.88 CA2 (0.42) CA2CA1CYP11B2CYP11B1CA9
SCHEMBL20622597 0.85 CA2 (0.45) CA2CA1PIK3CDPIK3CAPIK3CB
SCHEMBL28609675 0.84 CA1 (0.44) CA2CA1PIK3CDPIK3CAPIK3CB
SCHEMBL19939382 0.82 CA1 (0.41) CA2CA1PIK3CDPIK3CAPIK3CB
SCHEMBL31299567 0.82 CA1 (0.53) CA2CA1PIK3CDPIK3CAPIK3CB
SCHEMBL21099271 0.81 CA1 (0.40) CA2CA1CA9CA12ESR1

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-20180066180-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2018-03-08 US disclosed
US-20180066180-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2018-03-08 US disclosed
US-20160172598-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2016-06-16 US disclosed
US-20160172598-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2016-06-16 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-20180066180-A1 ORGANIC LIGHT-EMITTING DEVICE CRY1, CRY2, PPOX CA2 4318/4885CA1 3946/4885PIK3CD 4800/4885
US-20160172598-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CRY1, CRY2, PER2 CA2 4492/4885CA1 4547/4885PIK3CD 3624/4885

“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.