SCHEMBL2236879

SCHEMBL2236879

Cc1cccc(-c2ccc(F)cc2F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.55
AKR1C2 P52895 1/20 0.55
ACHE P22303 2/20 0.54
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
CNR1 P21554 2/20 0.44
RPS6KA3 P51812 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
DHFR P00374 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL1712379 0.90 AKR1C3 (0.51) AKR1C3AKR1C2ACHEPDE3BPDE3A
SCHEMBL16582524 0.85 AKR1C3 (0.49) AKR1C3AKR1C2ACHEPDE3BPDE3A
SCHEMBL8265084 0.85 ACHE (0.54) AKR1C3AKR1C2ACHEPDE3BPDE3A
SCHEMBL15344231 0.85 ACHE (0.54) AKR1C3AKR1C2ACHEPDE3BPDE3A
SCHEMBL14926547 0.84 CNR1 (0.49) PDE3BPDE3ACNR1MEN1KMT2A
SCHEMBL15495645 0.82 CNR1 (0.48) AKR1C3AKR1C2PDE3BPDE3ACNR1
SCHEMBL24329717 0.81 ACHE (0.50) AKR1C3AKR1C2ACHEPDE3BPDE3A
SCHEMBL10094674 0.81 ACHE (0.54) AKR1C3AKR1C2ACHERPS6KA3NPC1
SCHEMBL3641153 0.80 MAPK14 (0.50) AKR1C3AKR1C2ACHEPDE3BPDE3A
SCHEMBL22421796 0.79 AKR1C3 (0.50) AKR1C3AKR1C2PDE3BPDE3ACNR1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116323599-A Heterocyclic GLP-1 agonists 加舒布鲁姆生物公司 2023-06-23 CN disclosed
EP-2349990-B1 ARYL-PHENYL-SULFONAMIDE-PHENYLENE COMPOUNDS AND THEIR USE PIMCO 2664 LTD (GB) 2018-05-02 EP disclosed
EP-2349990-B1 ARYL-PHENYL-SULFONAMIDE-PHENYLENE COMPOUNDS AND THEIR USE PIMCO 2664 LTD (GB) 2018-05-02 EP disclosed
US-9827229-B2 Small molecule securinine and norsecurinine analogs and their use in cancers, inflammatory diseases and infections INVENIO THERAPEUTICS INC. (US) 2017-11-28 US disclosed
US-8207167-B2 Aryl-phenyl-sulfonamide-phenylene compounds and their use PIMCO 2664 LIMITED (GB) 2012-06-26 US disclosed
US-8207167-B2 Aryl-phenyl-sulfonamide-phenylene compounds and their use PIMCO 2664 LIMITED (GB) 2012-06-26 US disclosed
US-8207167-B2 Aryl-phenyl-sulfonamide-phenylene compounds and their use PIMCO 2664 LIMITED (GB) 2012-06-26 US disclosed
US-20120025177-A1 Phosphorescent light-emitting iridium complex containing pyridyltriazole ligand SOLVAY SA (BE) 2012-02-02 US disclosed
US-20110190302-A1 Aryl-Phenyl-Sulfonamide-Phenylene Compounds and Their Use PIMCO 2664 LIMITED (GB) 2011-08-04 US disclosed
US-20110190302-A1 Aryl-Phenyl-Sulfonamide-Phenylene Compounds and Their Use PIMCO 2664 LIMITED (GB) 2011-08-04 US disclosed
US-20110190302-A1 Aryl-Phenyl-Sulfonamide-Phenylene Compounds and Their Use PIMCO 2664 LIMITED (GB) 2011-08-04 US disclosed
EP-2349990-A1 ARYL-PHENYL-SULFONAMIDE-PHENYLENE COMPOUNDS AND THEIR USE Pimco 2664 Limited (GB) 2011-08-03 EP disclosed
WO-2010032010-A1 ARYL-PHENYL-SULFONAMIDE-PHENYLENE COMPOUNDS AND THEIR USE PIMCO 2664 LIMITED (GB) 2010-03-25 WO disclosed
WO-2010032010-A1 ARYL-PHENYL-SULFONAMIDE-PHENYLENE COMPOUNDS AND THEIR USE PIMCO 2664 LIMITED (GB) 2010-03-25 WO 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-20120025177-A1 Phosphorescent light-emitting iridium complex containing pyridyltriazole ligand PPIP5K2, HPRT1, PHPT1 AKR1C3 3856/4885AKR1C2 4199/4885ACHE 2347/4885
US-20110190302-A1 Aryl-Phenyl-Sulfonamide-Phenylene Compounds and Their Use SOST, PSAP, ARSA AKR1C3 1979/4885AKR1C2 2332/4885ACHE 3553/4885

“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.