SCHEMBL19746355

SCHEMBL19746355

C=C(C(=O)OC)c1cccc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.57
CES2 O00748 1/20 0.57
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
P2RX1 P51575 1/20 0.50
LMNA P02545 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
GAA P10253 2/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
SRD5A2 P31213 1/20 0.49
MAOB P27338 1/20 0.48
KCNK3 O14649 1/20 0.48
KCNK9 Q9NPC2 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
SCHEMBL7623521 0.84 CES2 (0.71) NPSR1CES2ALDH1A1MEN1KMT2A
SCHEMBL4020790 0.83 CES2 (0.52) NPSR1CES2P2RX1HDAC3GAA
SCHEMBL19710741 0.82 CES2 (0.62) NPSR1CES2ALDH1A1MEN1KMT2A
SCHEMBL11461692 0.82 MAPT (0.43) NPSR1CES2ALDH1A1MEN1KMT2A
SCHEMBL40351 0.80 CES2 (0.65) NPSR1CES2ALDH1A1MEN1KMT2A
SCHEMBL9299166 0.80 CES2 (0.52) CES2KMT2AHTTSRD5A2MAOB
SCHEMBL31355711 0.80 CES2 (0.65) NPSR1CES2ALDH1A1MEN1KMT2A
SCHEMBL31326840 0.80 CES2 (0.65) NPSR1CES2ALDH1A1MEN1KMT2A
SCHEMBL10960536 0.79 NPSR1 (0.55) NPSR1CES2ALDH1A1MEN1KMT2A
SCHEMBL11002278 0.79 NPSR1 (0.55) NPSR1CES2ALDH1A1MEN1KMT2A

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-20230065368-A1 INHIBITING UBIQUITIN SPECIFIC PEPTIDASE 9X FORMA THERAPEUTICS, INC. 2023-03-02 US disclosed
WO-2017222952-A1 3- HETEROARYL SUBSTITUTED 5-TRIFLUOROMETHYL OXADIAZOLES AS HISTONE DEACETYLASE 6 (HDAC6) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-12-28 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 (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-20230065368-A1 INHIBITING UBIQUITIN SPECIFIC PEPTIDASE 9X USP9X, USP19, USP39 NPSR1 4188/4885CES2 2870/4885ALDH1A1 1794/4885

“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.