SCHEMBL6933110

SCHEMBL6933110

Fc1ccc(C(c2ccc(F)c(F)c2)c2ccc(F)c(F)c2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
PDPK1 O15530 1/20 0.34
NFE2L2 Q16236 2/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
MME P08473 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
SHBG P04278 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
CYP19A1 P11511 1/20 0.32

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
SCHEMBL9871768 0.84 CYP19A1 (0.57) CES2CES1AKR1C3AKR1C2PTGDR2
SCHEMBL28193191 0.80 CES2 (0.45) CES2CES1PDPK1AKR1C3AKR1C2
SCHEMBL30903827 0.78 CES2 (0.53) CES2CES1PDPK1AKR1C3AKR1C2
SCHEMBL84476 0.78 LMNA (0.44) CES2CES1PDPK1NFE2L2AKR1C3
SCHEMBL16105634 0.78 CES2 (0.44) CES2CES1PDPK1NFE2L2AKR1C3
SCHEMBL8352425 0.78 CES2 (0.44) CES2CES1PDPK1NFE2L2AKR1C3
SCHEMBL12437781 0.78 CES2 (0.44) CES2CES1PDPK1
SCHEMBL3897101 0.78 CES2 (0.53) CES2CES1PDPK1AKR1C3AKR1C2
SCHEMBL4826865 0.78 CES2 (0.44) CES2CES1PDPK1NFE2L2AKR1C3
SCHEMBL8230475 0.78 CES2 (0.44) CES2CES1PDPK1NFE2L2AKR1C3

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
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
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 CES2 2430/4885CES1 1135/4885PDPK1 1604/4885

“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.