SCHEMBL20135926

SCHEMBL20135926

O=S(=O)(Oc1nccc2c1[nH]c1ccccc12)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 9/20 0.51
KDM4E B2RXH2 3/20 0.51
MEN1 O00255 3/20 0.51
MAPT P10636 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPK1 P28482 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
ALDH1A1 P00352 2/20 0.51
GABRP O00591 1/20 0.51
GABRD O14764 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
GABRA1 P14867 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
GABRB1 P18505 1/20 0.51
GABRG2 P18507 1/20 0.51
NFKB1 P19838 1/20 0.51
MAOA P21397 1/20 0.51

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
SCHEMBL29017598 0.82 TDO2 (0.59) TDO2KDM4EMEN1MAPTKMT2A
SCHEMBL20139104 0.81 BCHE (0.56) KDM4EMEN1MAPTKMT2ANPSR1
SCHEMBL20135897 0.79 DYRK1A (0.43) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL29895701 0.78 KIF11 (0.50) TDO2KDM4EMEN1MAPTKMT2A
SCHEMBL29940531 0.78 KIF11 (0.50) TDO2KDM4EMEN1MAPTKMT2A
SCHEMBL2181837 0.78 KIF11 (0.50) TDO2KDM4EMEN1MAPTKMT2A
SCHEMBL31326800 0.77 TOP2A (0.34) BCHEL3MBTL1
SCHEMBL31326799 0.77 TOP2A (0.34) BCHEL3MBTL1
SCHEMBL29937434 0.75 TRPA1 (0.43) KDM4EMAPTKMT2ANPSR1ALDH1A1
SCHEMBL6638222 0.75 TRPA1 (0.43) KDM4EMAPTKMT2ANPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538529-B1 SELECTIVE INHIBITORS OF GENOTOXIC STRESS-INDUCED IKK/NF-KB PATHWAYS MAX DELBRUECK CENTRUM FUER MOLEKULARE MEDIZIN HELMHOLTZ GEMEINSCHAFT (DE) 2022-01-19 EP disclosed
EP-3538529-B1 SELECTIVE INHIBITORS OF GENOTOXIC STRESS-INDUCED IKK/NF-KB PATHWAYS MAX DELBRUECK CENTRUM FUER MOLEKULARE MEDIZIN HELMHOLTZ GEMEINSCHAFT (DE) 2022-01-19 EP disclosed
US-11028084-B2 Selective inhibitors of gentotoxic steress-induced IKK/NF-κB pathways MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN IN DER HELMHOLTZ-GEMEINSCHAFT (DE) 2021-06-08 US disclosed
US-11028084-B2 Selective inhibitors of gentotoxic steress-induced IKK/NF-κB pathways MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN IN DER HELMHOLTZ-GEMEINSCHAFT (DE) 2021-06-08 US disclosed
US-20190276452-A1 SELECTIVE INHIBITORS OF GENTOTOXIC STERESS-INDUCED IKK/NF-KB PATHWAYS FORSCHUNGSVERBUND BERLIN E.V. (DE) 2019-09-12 US disclosed
US-20190276452-A1 SELECTIVE INHIBITORS OF GENTOTOXIC STERESS-INDUCED IKK/NF-KB PATHWAYS FORSCHUNGSVERBUND BERLIN E.V. (DE) 2019-09-12 US disclosed
WO-2018087389-A1 SELECTIVE INHIBITORS OF GENOTOXIC STRESS-INDUCED IKK/NF-kB PATHWAYS MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN IN DER HELMHOLTZ-GEMEINSCHAFT (DE) 2018-05-17 WO disclosed
EP-3321264-A1 SELECTIVE INHIBITORS OF GENOTOXIC STRESS-INDUCED IKK/NF-KB PATHWAYS Max-Delbrück-Centrum für Molekulare Medizin in der Helmholtz-Gemeinschaft (DE) 2018-05-16 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 (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-11028084-B2 Selective inhibitors of gentotoxic steress-induced IKK/NF-κB pathways IKBKB, NFKBIA, IKBKE TDO2 4052/4885KDM4E 2954/4885MEN1 3320/4885
US-20190276452-A1 SELECTIVE INHIBITORS OF GENTOTOXIC STERESS-INDUCED IKK/NF-KB PATHWAYS IKBKB, NFKBIA, IKBKE TDO2 4083/4885KDM4E 2948/4885MEN1 3369/4885

“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.