SCHEMBL5515377

SCHEMBL5515377

O=C(O)c1cccc(-c2cccc(OC(F)(F)F)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.56
MRGPRX4 Q96LA9 3/20 0.56
CSNK2A2 P19784 1/20 0.53
CSNK2B P67870 1/20 0.53
AURKA O14965 1/20 0.52
TPX2 Q9ULW0 1/20 0.52
GAA P10253 2/20 0.51
LMNA P02545 1/20 0.51
DHODH Q02127 5/20 0.51
RXRA P19793 2/20 0.50
RXRB P28702 2/20 0.50
SLC13A5 Q86YT5 1/20 0.50
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
MITF O75030 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL29459930 0.90 MRGPRX4 (0.61) KMOMRGPRX4AURKATPX2GAA
SCHEMBL496275 0.90 MRGPRX4 (0.61) KMOMRGPRX4AURKATPX2GAA
SCHEMBL505417 0.89 RXRA (0.61) CSNK2A2CSNK2BAURKATPX2DHODH
SCHEMBL3745780 0.89 AURKA (0.67) KMOMRGPRX4AURKATPX2GAA
SCHEMBL29784241 0.89 RXRA (0.61) CSNK2A2CSNK2BAURKATPX2DHODH
SCHEMBL3722117 0.86 DYRK1A (0.62) SLC13A5
SCHEMBL30837232 0.86 ABL1 (0.55) DHODHSLC13A5NPC1RAB9A
SCHEMBL9138055 0.84 AKR1C3 (0.67) KMOMRGPRX4GAAMEN1NPC1
SCHEMBL60580 0.83 GRM5 (0.63) CSNK2A2CSNK2BDHODHMEN1NPC1
SCHEMBL7859740 0.82 KDM4E (0.58) CSNK2A2CSNK2BMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007519744-A 2007-07-19 JP claimed
US-20070088001-A1 Silinane compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2007-04-19 US claimed
EP-1716158-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering Aktiengesellschaft (DE) 2006-11-02 EP claimed
WO-2005074904-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-18 WO claimed
US-11214564-B2 Compounds with thymine skeleton for use in medicine Technische Universität Dresden (DE) 2022-01-04 US disclosed
US-11214564-B2 Compounds with thymine skeleton for use in medicine Technische Universität Dresden (DE) 2022-01-04 US disclosed
EP-3819006-A1 COMPOUNDS WITH THYMINE SKELETON FOR USE IN MEDICINE Technische Universität Dresden (DE) 2021-05-12 EP disclosed
EP-3819006-A1 COMPOUNDS WITH THYMINE SKELETON FOR USE IN MEDICINE Technische Universität Dresden (DE) 2021-05-12 EP disclosed
US-20210130328-A1 NOVEL COMPOUNDS WITH THYMINE SKELETON FOR USE IN MEDICINE Technische Universität Dresden (DE) 2021-05-06 US disclosed
US-20210130328-A1 NOVEL COMPOUNDS WITH THYMINE SKELETON FOR USE IN MEDICINE Technische Universität Dresden (DE) 2021-05-06 US disclosed
US-20070088001-A1 Silinane compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2007-04-19 US disclosed
EP-1716158-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering Aktiengesellschaft (DE) 2006-11-02 EP disclosed
WO-2005074904-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-18 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 (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-20210130328-A1 NOVEL COMPOUNDS WITH THYMINE SKELETON FOR USE IN MEDICINE TMSB10, TMSB4X, TBCA KMO 4384/4885MRGPRX4 2709/4885CSNK2A2 2202/4885
US-11214564-B2 Compounds with thymine skeleton for use in medicine TMSB10, TMSB4X, TBCA KMO 4330/4885MRGPRX4 3035/4885CSNK2A2 2465/4885
US-20070088001-A1 Silinane compounds as cysteine protease inhibitors CTSV, CTSB, CTSS KMO 1212/4885MRGPRX4 2930/4885CSNK2A2 479/4885

“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.