SCHEMBL6933696

SCHEMBL6933696

C/C(=C\c1ccc(Cl)c(C)c1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.52
MCL1 Q07820 1/20 0.41
TBXAS1 P24557 6/20 0.40
APEX1 P27695 3/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GABRA1 P14867 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
TRPA1 O75762 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL6933701 1.00 AKR1C3 (0.52) AKR1C3MCL1TBXAS1APEX1MEN1
SCHEMBL7615822 0.86 AKR1C3 (0.55) AKR1C3TBXAS1APEX1TRPA1ALDH1A1
SCHEMBL2008473 0.86 AKR1C3 (0.55) AKR1C3TBXAS1APEX1TRPA1ALDH1A1
SCHEMBL2083878 0.81 AKR1C3 (0.53) AKR1C3TBXAS1APEX1GABRA1SIGMAR1
SCHEMBL2083879 0.81 AKR1C3 (0.53) AKR1C3TBXAS1APEX1GABRA1SIGMAR1
SCHEMBL171076 0.81 AKR1C3 (0.53) AKR1C3TBXAS1APEX1GABRA1SIGMAR1
SCHEMBL25218171 0.79 AKR1C3 (0.52) AKR1C3TBXAS1APEX1MEN1KMT2A
SCHEMBL25247634 0.79 AKR1C3 (0.52) AKR1C3TBXAS1APEX1MEN1KMT2A
SCHEMBL3400062 0.78 TRPA1 (0.58) AKR1C3TBXAS1APEX1MEN1KMT2A
SCHEMBL3400070 0.78 TRPA1 (0.58) AKR1C3TBXAS1APEX1MEN1KMT2A

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 16 patents. 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
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-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-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
EP-0485172-A2 Esters and amides of substituted indenyl acetic acids FGN, INC. (US) 1992-05-13 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 AKR1C3 170/4885MCL1 202/4885TBXAS1 3720/4885

“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.