SCHEMBL6938602

SCHEMBL6938602

CCOC(=O)C(C(=O)OCC)C(C)c1ccc(SC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 3/20 0.43
SLC6A4 P31645 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
LMNA P02545 3/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 1/20 0.40
AKR1C3 P42330 3/20 0.40
AKR1C2 P52895 3/20 0.40
ACACB O00763 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
ALOX5 P09917 1/20 0.37
RCE1 Q9Y256 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
SCHEMBL4038007 0.83 ALDH1A1 (0.44) ALDH1A1MAPTKDM4ESLC6A4SMN1; SMN2
SCHEMBL9225532 0.80 MMP8 (0.54) SLC6A4SMN1; SMN2LMNATSHRMEN1
SCHEMBL11839273 0.79 ALDH1A1 (0.45) ALDH1A1MAPTKDM4ESLC6A4SMN1; SMN2
SCHEMBL4042450 0.79 ALDH1A1 (0.43) ALDH1A1MAPTKDM4ESLC6A4SMN1; SMN2
SCHEMBL6180785 0.79 ALDH1A1 (0.44) ALDH1A1MAPTKDM4ESLC6A4SMN1; SMN2
SCHEMBL8150868 0.79 TP53 (0.48) ALDH1A1MAPTKDM4ESMN1; SMN2TP53
SCHEMBL6971962 0.76 ALDH1A1 (0.45) ALDH1A1MAPTKDM4ESLC6A4SMN1; SMN2
SCHEMBL11857632 0.76 HTT (0.44) ALDH1A1MAPTKDM4ESMN1; SMN2TP53
SCHEMBL11832493 0.75 ALDH1A1 (0.44) ALDH1A1MAPTKDM4ESLC6A4SMN1; SMN2
SCHEMBL27546136 0.74 SLC6A4 (0.50) SLC6A4ACACB

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0910380-B1 SUBSTITUTED BENZYLIDENE INDENYL FORMAMIDES, ACETAMIDES AND PROPIONAMIDES CELL PATHWAYS INC (US) 2003-08-13 EP disclosed
US-20020107248-A1 Method for treating patients with neoplasia by administering substituted sulfonyl indenyl acetic and propionic acids and esters thereof OSI PHARMACEUTICALS, INC. 2002-08-08 US disclosed
US-6403831-B1 5,6-DIFLUORO-2-METHYL-1-(3,4,5-TRIMETHOXY-BENZYLIDENE)-3-(N-BE NZYL)-INDENYL ACETAMIDE; ANTITUMOR AND ANTICARCINOGENIC AGENT USED TO TREAT PRECANCEROUS LESIONS CELL PATHWAYS, INC. 2002-06-11 US disclosed
US-6232312-B1 ADMINISTERING A COMBINATION OF INDENE AND PYRIMIDO(5,4-D)PYRIMIDINE DERIVATIVES TO TREAT PREPANCREATIC CANCER CELL PATHWAYS, INC. 2001-05-15 US disclosed
EP-0910380-A4 SUBSTITUTED BENZYLIDENE INDENYL FORMAMIDES, ACETAMIDES AND PROPIONAMIDES CELL PATHWAYS INC (US) 2000-09-27 EP disclosed
US-6121321-A IN CARRIER CELL PATHWAYS, INC. (US) 2000-09-19 US disclosed
US-6063818-A Substituted benzylidene indenyl formamides, acetamides and propionamides CELL PATHWAYS INC. (US) 2000-05-16 US disclosed
US-5998477-A MIXTURE OF DRUG AND CARRIER CELL PATHWAYS INC. (US) 1999-12-07 US disclosed
US-5965619-A ADMINISTERING AN INDENE DERIVATIVE OF GIVEN FORMULA, SUCH AS 1-(2,4,6-TRIMETHOXYBENZYLIDENE)-5-DIMETHYLAMINO-2-METHYL-3-INDENYL ACETIC ACID, TO TREAT PRECANCEROUS LESIONS SUCH AS COLONIC ADENOMATOUS POLYPS; SIDE EFFECT REDUCTION CELL PATHWAYS INC. (US) 1999-10-12 US disclosed
EP-0910380-A1 SUBSTITUTED BENZYLIDENE INDENYL FORMAMIDES, ACETAMIDES AND PROPIONAMIDES Cell Pathways, Inc. (US) 1999-04-28 EP disclosed
WO-1997047303-A1 SUBSTITUTED BENZYLIDENE INDENYL FORMAMIDES, ACETAMIDES AND PROPIONAMIDES CELL PATHWAYS, INC. (US) 1997-12-18 WO disclosed
WO-1997047295-A1 SUBSTITUTED METHOXY BENZYLIDENE INDENYL-ACETIC AND PROPIONIC ACIDS FOR TREATING PATIENTS WITH PRECANCEROUS LESIONS CELL PATHWAYS, INC. (US) 1997-12-18 WO disclosed
US-5696159-A Lactone compounds for treating patients with precancerous lesions CELL PATHWAYS, INC. (US) 1997-12-09 US disclosed
US-5643959-A Method for treating patients with precancerous lesions by administering substituted sulfonyl indenyl acetic and propionic acids and esters thereof CELL PATHWAYS, INC. (US) 1997-07-01 US disclosed
EP-0723442-A4 LACTONE COMPOUNDS FOR TREATING PATIENTS WITH PRECANCEROUS LESIONS CELL PATHWAYS INC (US) 1997-06-11 EP disclosed
EP-0723442-A1 LACTONE COMPOUNDS FOR TREATING PATIENTS WITH PRECANCEROUS LESIONS CELL PATHWAYS, INC. (US) 1996-07-31 EP disclosed
WO-1996003987-A1 LACTONE COMPOUNDS FOR TREATING PATIENTS WITH PRECANCEROUS LESIONS CELL PATHWAYS, INC. (US) 1996-02-15 WO disclosed
EP-0508586-B1 Substituted indenyl compounds FGN INC (US) 1995-05-31 EP disclosed
US-5401774-A Treatment of potentially cancerous growths UNIVERSITY OF ARIZONA (US) 1995-03-28 US disclosed
EP-0508586-A1 Substituted indenyl compounds FGN, INC. (US) 1992-10-14 EP 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-20020107248-A1 Method for treating patients with neoplasia by administering substituted sulfonyl indenyl acetic and propionic acids and esters thereof VHL, IDH3A, GLI2 ALDH1A1 42/4885MAPT 4603/4885KDM4E 2573/4885

“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.