SCHEMBL15003085

SCHEMBL15003085

O=S(=O)(Oc1ncc(Oc2cccc(C(F)(F)F)c2)c2c1CCCC2)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
NPSR1 Q6W5P4 3/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 2/20 0.39
PPP1CA P62136 1/20 0.39
MEN1 O00255 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
KIF11 P52732 1/20 0.39
GAA P10253 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
ICAM1 P05362 1/20 0.37
SELE P16581 1/20 0.37
P2RY1 P47900 1/20 0.37

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
SCHEMBL14998441 0.89 ALDH1A1 (0.47) ALDH1A1KDM4ENPSR1MAPTLMNA
SCHEMBL10036934 0.83 PPP1CA (0.49) ALDH1A1KDM4ENPSR1MAPTL3MBTL1
SCHEMBL14998507 0.79 USP2 (0.47) ALDH1A1MAPTL3MBTL1POLBKMT2A
SCHEMBL14998263 0.78 TEAD1 (0.45) ALDH1A1KDM4ENPSR1MAPTLMNA
SCHEMBL15003156 0.78 KDM4E (0.45) ALDH1A1KDM4ENPSR1MAPTLMNA
SCHEMBL14998310 0.76 KMT2A (0.46) ALDH1A1KDM4ENPSR1MAPTL3MBTL1
SCHEMBL14998484 0.75 PTGER4 (0.46) ALDH1A1KDM4ENPSR1L3MBTL1POLB
SCHEMBL6938268 0.73 NR3C1 (0.48) ALDH1A1KDM4ENPSR1MAPTLMNA
SCHEMBL14998244 0.72 CYP2C9 (0.54) ALDH1A1KDM4ENPSR1MAPTL3MBTL1
SCHEMBL15003044 0.70 SYK (0.43) ALDH1A1MAPTKIF11GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791106-B2 Fused ring pyridine compound ASTELLAS PHARMA INC. (JP) 2014-07-29 US disclosed
US-20130143874-A1 FUSED RING PYRIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-06-06 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-20130143874-A1 FUSED RING PYRIDINE COMPOUND CNR2, CNR1, TRPV1 ALDH1A1 3436/4885KDM4E 1548/4885NPSR1 114/4885

“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.