SCHEMBL9609397

SCHEMBL9609397

Cn1c2ccccc2c(=O)c2cc([S+](c3cc(F)c(O)c(F)c3)c3cc(F)c(O)c(F)c3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.50
▸ ALDH1A1 P00352 3/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ HTT P42858 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ GLA P06280 1/20 0.46
▸ MAPT P10636 1/20 0.44
▸ NPC1 O15118 6/20 0.43
▸ RAB9A P51151 6/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ HCRTR1 O43613 2/20 0.42
▸ KDM1A O60341 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ NR2F2 P24468 1/20 0.41

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
SCHEMBL9609395 0.84 HTT (0.48) ATMALDH1A1KDM4EHTTCYP2C19
SCHEMBL9609428 0.84 ATM (0.62) ATMALDH1A1KDM4EHTTCYP2C19
SCHEMBL9609405 0.80 HTT (0.52) ATMALDH1A1KDM4EHTTCYP2C19
SCHEMBL9609402 0.78 RXFP1 (0.43) ATMALDH1A1KDM4EHTTCYP2C19
SCHEMBL9609427 0.77 MAPT (0.42) ATMALDH1A1KDM4EHTTHPGD
SCHEMBL9609411 0.75 HTT (0.45) ATMALDH1A1KDM4EHTTCYP2C19
SCHEMBL9609406 0.74 NPC1 (0.40) ATMALDH1A1KDM4EHTTCYP2C19
SCHEMBL11378517 0.73 HTT (0.57) ATMALDH1A1KDM4EHTTCYP2C19
SCHEMBL9609422 0.72 P2RX4 (0.58) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL9609426 0.72 P2RX4 (0.45) ALDH1A1KDM4EHTTCYP2C19HPGD

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-9073854-B2 Aromatic sulfonium salt compound ADEKA CORPORATION (JP) 2015-07-07 — — US disclosed
US-20120136155-A1 AROMATIC SULFONIUM SALT COMPOUND ADEKA CORPORATION (JP) 2012-05-31 — — 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-20120136155-A1 AROMATIC SULFONIUM SALT COMPOUND F12, ASIC1, SPIN1 ATM 1864/4885ALDH1A1 2040/4885KDM4E 2462/4885

“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.

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