SCHEMBL10465337

SCHEMBL10465337

CC(=O)C(C)(C)Cc1ccc(SC(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
PTPRZ1 P23471 4/20 0.49
PTPN1 P18031 2/20 0.47
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TRPV1 Q8NER1 1/20 0.42
KIF11 P52732 1/20 0.40
TBXAS1 P24557 2/20 0.36
KCNK2 O95069 1/20 0.35
KCNK10 P57789 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 2/20 0.35
ATM Q13315 1/20 0.35
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL10465335 0.80 EPHX2 (0.44) EPHX2NR1H4PTPRZ1PTPN1ALDH1A1
SCHEMBL13020828 0.78 PTPRZ1 (0.57) EPHX2NR1H4PTPRZ1PTPN1ALDH1A1
SCHEMBL13169964 0.77 PTPRZ1 (0.61) EPHX2NR1H4PTPRZ1PTPN1ALDH1A1
SCHEMBL9198566 0.77 MAOB (0.46) PTPN1LMNAHTT
SCHEMBL10465331 0.77 EPHX2 (0.44) EPHX2NR1H4PTPRZ1PTPN1ALDH1A1
SCHEMBL9626513 0.77 RIPK1 (0.47) KDM4ETDP1SMN1; SMN2
SCHEMBL10655803 0.75 ALDH1A1 (0.52) EPHX2NR1H4PTPRZ1PTPN1ALDH1A1
SCHEMBL8951998 0.74 HPGD (0.44) ALDH1A1TDP1NPC1RAB9ASMN1; SMN2
SCHEMBL11081323 0.73 PTPRZ1 (0.69) EPHX2NR1H4PTPRZ1PTPN1ALDH1A1
SCHEMBL10741181 0.73 EPHX2 (0.49) EPHX2NR1H4ALDH1A1TRPV1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9198429-B2 Heterocyclic alkanol-derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-01 US disclosed
EP-2782904-A1 NOVEL HETEROCYCLIC ALKANOL-DERIVATIVES Bayer Intellectual Property GmbH (DE) 2014-10-01 EP disclosed
US-20140274952-A1 NOVEL HETEROCYCLIC ALKANOL-DERIVATIVES BAYER INTELLCTUAL PROPERTY GMBH (DE) 2014-09-18 US disclosed
WO-2013076227-A1 NOVEL HETEROCYCLIC ALKANOL-DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-30 WO disclosed
US-4939155-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1990-07-03 US disclosed
US-4877446-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-10-31 US 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-20140274952-A1 NOVEL HETEROCYCLIC ALKANOL-DERIVATIVES ERG28, CBR3, MYB EPHX2 1398/4885NR1H4 4664/4885PTPRZ1 943/4885

“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.