SCHEMBL21392022

SCHEMBL21392022

CCCCCCc1cc(F)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.49
TYR P14679 2/20 0.49
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GHSR Q92847 1/20 0.44
LIPG Q9Y5X9 1/20 0.42
HTR2A P28223 1/20 0.41
PTGS2 P35354 4/20 0.41
SPHK2 Q9NRA0 1/20 0.41
MPO P05164 3/20 0.41
RIPK1 Q13546 1/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL14402465 0.98 ALOX5 (0.46) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL5103997 0.92 TYR (0.46) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL21505683 0.85 TYR (0.53) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL4481161 0.84 RIPK1 (0.44) MAPTHTR2AMPORIPK1
SCHEMBL20093591 0.83 TYR (0.47) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL13850100 0.83 ALOX5 (0.47) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL19275390 0.82 TYR (0.50) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL1867053 0.81 ALOX5 (0.46) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL1864903 0.81 ALOX5 (0.46) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL7413229 0.81 HTR2A (0.47) ALOX5TYRMEN1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11529347-B2 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2022-12-20 US disclosed
US-11094474-B2 Photoelectric conversion element, dye-sensitized solar cell, metal complex dye, dye composition, and oxide semiconductor electrode FUJIFILM CORPORATION (JP) 2021-08-17 US disclosed
US-20190307745-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2019-10-10 US disclosed
US-20190295779-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE COMPOSITION, AND OXIDE SEMICONDUCTOR ELECTRODE FUJIFILM CORPORATION (JP) 2019-09-26 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-20190307745-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPN21, PTPN5, PTPN1 ALOX5 2498/4885TYR 636/4885MEN1 394/4885
US-11529347-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPN21, PTPN22, PTPN5 ALOX5 2139/4885TYR 656/4885MEN1 379/4885

“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.