SCHEMBL11902016

SCHEMBL11902016

O=C(O)c1cc(-c2cccc(OC(F)(F)F)c2)on1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.69
HPGD P15428 4/20 0.69
PTPN1 P18031 3/20 0.64
MAPT P10636 2/20 0.51
RECQL P46063 1/20 0.51
LDHA P00338 1/20 0.49
CDH1 P12830 1/20 0.48
CTNNB1 P35222 1/20 0.48
TCF7L2 Q9NQB0 1/20 0.48
SCN9A Q15858 1/20 0.48
TP53 P04637 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
PTPRA P18433 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47
DHODH Q02127 3/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46

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
SCHEMBL11902926 0.85 ALDH1A1 (0.67) ALDH1A1HPGDPTPN1MAPTRECQL
SCHEMBL1179647 0.82 ALDH1A1 (1.00) ALDH1A1HPGDPTPN1MAPTRECQL
SCHEMBL5620215 0.79 PTPN1 (1.00) ALDH1A1HPGDPTPN1MAPTRECQL
SCHEMBL4398693 0.79 PTPN1 (0.69) ALDH1A1HPGDPTPN1MAPTRECQL
SCHEMBL4791629 0.78 ALDH1A1 (0.73) ALDH1A1HPGDPTPN1MAPTRECQL
SCHEMBL70042 0.77 PTPN1 (0.76) ALDH1A1HPGDPTPN1MAPTRECQL
SCHEMBL29742857 0.77 NR4A2 (0.50) DHODH
SCHEMBL17261697 0.76 CDH1 (0.49) ALDH1A1HPGDPTPN1MAPTRECQL
SCHEMBL3759024 0.76 ALDH1A1 (0.66) ALDH1A1HPGDPTPN1
SCHEMBL27930829 0.76 DHODH (0.49) ALDH1A1LDHADHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202794-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-08-09 US disclosed
US-20120202794-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-08-09 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-20120202794-A1 COMPOUNDS HAVCR2, MAVS, GOT2 ALDH1A1 253/4885HPGD 2240/4885PTPN1 3220/4885

“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.