SCHEMBL6540353

SCHEMBL6540353

O=S(=O)(c1ccc(O)cc1)c1ccc(CN(Cc2ccccc2)C[C@@H](O)c2cccc(Cl)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 4/20 0.42
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
SPPL2A Q8TCT8 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
ESR1 P03372 1/20 0.40
CXCR3 P49682 1/20 0.39
ADRB3 P13945 5/20 0.38
LMNA P02545 1/20 0.38
ADRB2 P07550 2/20 0.38
ADRB1 P08588 1/20 0.38
LIMK2 P53671 1/20 0.37
BACE1 P56817 2/20 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
SCHEMBL6540351 1.00 TAS2R14 (0.42) TAS2R14TSHRRECQLPSEN1PSEN2
SCHEMBL6540670 0.93 OPRK1 (0.43) TAS2R14PSEN1PSEN2SPPL2AAPH1B
SCHEMBL6540564 0.93 OPRK1 (0.43) TAS2R14PSEN1PSEN2SPPL2AAPH1B
SCHEMBL6540568 0.93 OPRK1 (0.43) TAS2R14PSEN1PSEN2SPPL2AAPH1B
SCHEMBL6539821 0.92 ADRB3 (0.41) TAS2R14PSEN1PSEN2SPPL2AAPH1B
SCHEMBL6539818 0.92 ADRB3 (0.41) TAS2R14PSEN1PSEN2SPPL2AAPH1B
SCHEMBL6540495 0.89 OPRK1 (0.41) TAS2R14TSHRRECQLPSEN1PSEN2
SCHEMBL6540503 0.89 OPRK1 (0.41) TAS2R14TSHRRECQLPSEN1PSEN2
SCHEMBL6677881 0.88 MEN1 (0.43) ADRB3ADRB2ADRB1
SCHEMBL6677885 0.88 MEN1 (0.43) ADRB3ADRB2ADRB1

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-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 WO 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 TAS2R14 3056/4885TSHR 3667/4885RECQL 478/4885

“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.