SCHEMBL5378582

SCHEMBL5378582

O=S(=O)(c1ccccc1)n1c2ccccc2c2c(OCC3CO3)cccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
GLA P06280 1/20 0.43
TDP1 Q9NUW8 1/20 0.40
HTR6 P50406 10/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
PSEN1 P49768 3/20 0.38
PSEN2 P49810 3/20 0.38
APH1B Q8WW43 3/20 0.38
NCSTN Q92542 3/20 0.38
APH1A Q96BI3 3/20 0.38
PSENEN Q9NZ42 3/20 0.38
MTNR1B P49286 1/20 0.37
KDM4E B2RXH2 1/20 0.37
BCHE P06276 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL28406484 0.78 ALDH1A1 (0.44) ALDH1A1GLATDP1HTR6LMNA
SCHEMBL10474511 0.78 HTR6 (0.60) HTR6BCHE
SCHEMBL5830880 0.78 ALDH1A1 (0.51) ALDH1A1GLATDP1HTR6LMNA
SCHEMBL4891775 0.77 ALDH1A1 (0.54) ALDH1A1GLATDP1HTR6PKM
SCHEMBL4900381 0.73 ALDH1A1 (0.49) ALDH1A1GLATDP1HTR6LMNA
SCHEMBL5376311 0.72 MTNR1B (0.45) HTR6LMNAPSEN1PSEN2APH1B
SCHEMBL27885302 0.72 HTR6 (0.50) TDP1HTR6LMNAPSEN1PSEN2
SCHEMBL4902058 0.71 CYP1A2 (0.46) ALDH1A1GLATDP1LMNACYP3A4
SCHEMBL6704543 0.70 ALDH1A1 (0.55) ALDH1A1GLATDP1HTR6LMNA
SCHEMBL729501 0.69 ALDH1A1 (0.65) ALDH1A1GLATDP1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169935-B2 Process for preparing heterocyclic indene analogs HOFFMANN-LA ROCHE INC. (US) 2007-01-30 US claimed
US-20040127723-A1 Process for preparing heterocyclic indene analogs SCALONE MICHELANGELO (CH) 2004-07-01 US claimed
EP-1355880-A2 PROCESS FOR THE PREPARATION OF HETEROCYCLIC INDENE ANALOGS F. HOFFMANN-LA ROCHE AG (CH) 2003-10-29 EP claimed
WO-2002059089-A2 PROCESS FOR THE PREPARATION OF HETEROCYCLIC INDENE ANALOGS F. HOFFMANN-LA ROCHE AG (CH) 2002-08-01 WO claimed
US-20020099223-A1 Process for preparing heterocyclic indene analogs HOFFMANN-LA ROCHE INC. 2002-07-25 US claimed
US-7169935-B2 Process for preparing heterocyclic indene analogs HOFFMANN-LA ROCHE INC. (US) 2007-01-30 US disclosed
US-6777559-B2 CYCLOCARBONYLATING ACETIC ACID (OR BENZOIC ACID)-1-(1-BENZENESULFONYL-1H-INDOL-2-YL)-ALLYL ESTER TO OBTAIN 9-BENZENESULFONYL-9H-CARBAZOL-4-YL ESTER; SAPONIFYING HOFFMANN-LA ROCHE INC. 2004-08-17 US disclosed
US-20040127723-A1 Process for preparing heterocyclic indene analogs SCALONE MICHELANGELO (CH) 2004-07-01 US disclosed
EP-1355880-A2 PROCESS FOR THE PREPARATION OF HETEROCYCLIC INDENE ANALOGS F. HOFFMANN-LA ROCHE AG (CH) 2003-10-29 EP disclosed
WO-2002059089-A2 PROCESS FOR THE PREPARATION OF HETEROCYCLIC INDENE ANALOGS F. HOFFMANN-LA ROCHE AG (CH) 2002-08-01 WO disclosed
US-20020099223-A1 Process for preparing heterocyclic indene analogs HOFFMANN-LA ROCHE INC. 2002-07-25 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-20040127723-A1 Process for preparing heterocyclic indene analogs CYP3A4, CYP8B1, CYP51A1 ALDH1A1 1165/4885GLA 1810/4885TDP1 2793/4885
US-20020099223-A1 Process for preparing heterocyclic indene analogs CYP3A4, CYP8B1, CYP51A1 ALDH1A1 1165/4885GLA 1810/4885TDP1 2793/4885

“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.