Sugi Predict

Sugi Predict / Compounds / SCHEMBL6933101

SCHEMBL6933101

SCHEMBL6933101

C/C(=C\c1ccc(C(F)(F)F)cc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.60
▸ PTGS1 P23219 4/20 0.51
▸ PTGS2 P35354 2/20 0.51
▸ NQO2 P16083 1/20 0.51
▸ NR4A1 P22736 1/20 0.50
▸ NR4A2 P43354 1/20 0.50
▸ NR4A3 Q92570 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ HDAC3 O15379 1/20 0.46
▸ ADAM17 P78536 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ HDAC5 Q9UQL6 1/20 0.46
▸ CYP1A1 P04798 2/20 0.44
▸ CYP1B1 Q16678 2/20 0.44
▸ CES2 O00748 1/20 0.44

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
SCHEMBL6933104 1.00 AKR1C3 (0.60) AKR1C3PTGS1PTGS2NQO2NR4A1
SCHEMBL2462983 0.84 AKR1C3 (0.82) AKR1C3TBXAS1
SCHEMBL2462984 0.84 AKR1C3 (0.82) AKR1C3TBXAS1
SCHEMBL2005648 0.83 AKR1C3 (0.62) AKR1C3CYP1A2HDAC1SRD5A2TBXAS1
SCHEMBL27890491 0.83 AKR1C3 (0.62) AKR1C3CYP1A2TBXAS1
SCHEMBL2005650 0.83 AKR1C3 (0.62) AKR1C3CYP1A2HDAC1SRD5A2TBXAS1
SCHEMBL28961064 0.81 AKR1C3 (0.60) AKR1C3CYP1A2HDAC1SRD5A2TBXAS1
SCHEMBL5382427 0.81 TP53 (0.55) AKR1C3PTGS1PTGS2NQO2NR4A1
SCHEMBL30587844 0.81 CYP1A2 (0.53) AKR1C3PTGS1PTGS2NQO2NR4A1
SCHEMBL14280866 0.81 CYP1A2 (0.53) AKR1C3PTGS1PTGS2NQO2NR4A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2956437-B1 ALBICIDIN DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS UNIV BERLIN TECH (DE) 2023-05-10 — — EP disclosed
US-10308595-B2 Albicidin derivatives, their use and synthesis Technische Universität Berlin (DE) 2019-06-04 — — US disclosed
EP-2912021-B1 AGGRECANASE INHIBITORS LILLY CO ELI (US) 2017-08-16 — — EP disclosed
US-20150376120-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS Technische Universität Berlin (DE) 2015-12-31 — — US disclosed
EP-2956437-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS Centre de Cooperation Internationale en Recherche Agronomique pour le Developpement (FR) 2015-12-23 — — EP disclosed
US-9206139-B2 Aggrecanase inhibitors ELI LILLY AND COMPANY (US) 2015-12-08 — — US disclosed
EP-2912021-A1 AGGRECANASE INHIBITORS Eli Lilly and Company (US) 2015-09-02 — — EP disclosed
US-20150218107-A1 AGGRECANASE INHIBITORS ELI LILY AND COMPANY (US) 2015-08-06 — — US disclosed
WO-2014125075-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS Technische Universität Berlin (DE) 2014-08-21 — — WO disclosed
WO-2014066151-A1 AGGRECANASE INHIBITORS ELI LILLY AND COMPANY (US) 2014-05-01 — — WO disclosed
EP-0910380-A1 SUBSTITUTED BENZYLIDENE INDENYL FORMAMIDES, ACETAMIDES AND PROPIONAMIDES Cell Pathways, Inc. (US) 1999-04-28 — — EP disclosed
WO-1999007669-A1 ANTHRANILIC ACID ANALOGS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-18 — — WO disclosed
WO-1997047303-A1 SUBSTITUTED BENZYLIDENE INDENYL FORMAMIDES, ACETAMIDES AND PROPIONAMIDES CELL PATHWAYS, INC. (US) 1997-12-18 — — WO disclosed
US-5646313-A PREPARING ENKEPHALINASE INHIBITORS SOCIETE CIVILE BIOPROJET (FR) 1997-07-08 — — 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
US-5612371-A ENZYME INHIBITORS SOCIETE CIVILE BIOPROJECT (FR) 1997-03-18 — — 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 (3 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-10308595-B2 Albicidin derivatives, their use and synthesis MB, ALB, BCAT2 AKR1C3 3026/4885PTGS1 2516/4885PTGS2 3138/4885
US-20150376120-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS MB, ALB, BCAT2 AKR1C3 3026/4885PTGS1 2516/4885PTGS2 3138/4885
US-20150218107-A1 AGGRECANASE INHIBITORS ADAMTS1, ADAMTS5, ADAMTS7 AKR1C3 442/4885PTGS1 393/4885PTGS2 997/4885

“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.