SCHEMBL20314697

SCHEMBL20314697

CCCCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
PKM P14618 2/20 0.58
TSHR P16473 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
LMNA P02545 3/20 0.52
HTT P42858 3/20 0.52
FFAR4 Q5NUL3 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
USP2 O75604 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CTDSP1 Q9GZU7 1/20 0.49
CCR1 P32246 1/20 0.49
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
ALOX12 P18054 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL3684870 0.91 CA12 (0.58) ALDH1A1PKML3MBTL1HDAC3HDAC1
SCHEMBL7185182 0.83 ALDH1A1 (0.84) ALDH1A1PKMTSHRLMNAHTT
SCHEMBL29306669 0.82 L3MBTL1 (0.55) ALDH1A1PKML3MBTL1HDAC3HDAC1
SCHEMBL28109013 0.81 ALDH1A1 (0.61) ALDH1A1PKMTSHRLMNAHTT
SCHEMBL16508871 0.81 CA1 (0.59) ALDH1A1PKMTSHRLMNAHTT
SCHEMBL26212911 0.81 L3MBTL1 (0.56) ALDH1A1PKML3MBTL1HDAC3HDAC1
SCHEMBL26920076 0.81 USP2 (0.52) ALDH1A1TSHRUSP2CTDSP1
SCHEMBL4517737 0.80 ALDH1A1 (0.68) ALDH1A1PKML3MBTL1LMNASMN1; SMN2
SCHEMBL2006134 0.80 L3MBTL1 (0.53) ALDH1A1PKML3MBTL1LMNAFFAR4
SCHEMBL4020471 0.80 ALDH1A1 (0.59) ALDH1A1PKMTSHRLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230176481-A1 FILM-FORMING COMPOSITION NISSAN CHEMICAL CORPORATION (JP) 2023-06-08 US disclosed
US-20230125270-A1 RADIATION SENSITIVE COMPOSITION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2023-04-27 US disclosed
US-20180181000-A1 RADIATION SENSITIVE COMPOSITION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-06-28 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 (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-20180181000-A1 RADIATION SENSITIVE COMPOSITION RER1, RAD1, RAD51 ALDH1A1 1670/4885PKM 2131/4885TSHR 4093/4885
US-20230125270-A1 RADIATION SENSITIVE COMPOSITION XRCC6, RAD50, XRCC5 ALDH1A1 1388/4885PKM 2346/4885TSHR 2115/4885

“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.