SCHEMBL5377982

SCHEMBL5377982

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.58
HTR6 P50406 8/20 0.54
FABP3 P05413 2/20 0.44
FABP4 P15090 2/20 0.44
FABP5 Q01469 2/20 0.44
SLC9A1 P19634 1/20 0.43
AGTR1 P30556 2/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CXCL8 P10145 1/20 0.41
NOD1 Q9Y239 1/20 0.41
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
FABP2 P12104 1/20 0.40

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
SCHEMBL27885302 0.81 HTR6 (0.50) SRCHTR6SLC9A1AGTR1LMNA
SCHEMBL12093313 0.81 HTR6 (0.70) SRCHTR6FABP3FABP4FABP5
SCHEMBL5376311 0.76 MTNR1B (0.45) SRCHTR6FABP3FABP4FABP5
SCHEMBL27902317 0.76 HTR6 (0.44) SRCHTR6SLC9A1AGTR1
SCHEMBL7969684 0.73 SRC (1.00) SRCHTR6CXCL8NOD1PSEN1
SCHEMBL3564084 0.73 SRC (0.51) SRCHTR6FABP3FABP4FABP5
SCHEMBL3557485 0.72 AGTR1 (0.58) SRCHTR6FABP3FABP4FABP5
SCHEMBL25540657 0.71 AGTR1 (0.50) HTR6SLC9A1AGTR1HTTSMN1; SMN2
SCHEMBL14732395 0.71 HTR6 (0.46) SRCHTR6FABP3FABP4FABP5
SCHEMBL5758119 0.70 HTR6 (1.00) HTR6HTTLMNA

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 15 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
CN-1266131-C Process for the preparation of heterocgclic indene analogs HOFFMANN LA ROCHE (CH) 2006-07-26 CN claimed
US-20040127723-A1 Process for preparing heterocyclic indene analogs SCALONE MICHELANGELO (CH) 2004-07-01 US claimed
CN-1487922-A Process for preparing heterocyclic indene analogs 弗・哈夫曼-拉罗切有限公司 2004-04-07 CN 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
CN-1266131-C Process for the preparation of heterocgclic indene analogs HOFFMANN LA ROCHE (CH) 2006-07-26 CN 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
CN-1487922-A Process for preparing heterocyclic indene analogs 弗・哈夫曼-拉罗切有限公司 2004-04-07 CN 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 SRC 1343/4885HTR6 3297/4885FABP3 4536/4885
US-20020099223-A1 Process for preparing heterocyclic indene analogs CYP3A4, CYP8B1, CYP51A1 SRC 1343/4885HTR6 3297/4885FABP3 4536/4885

“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.