SCHEMBL25790129

SCHEMBL25790129

CCCC[N+]1=C(/C=C/C2=C(Oc3ccc(S(=O)(=O)O)cc3)/C(=C/C=C3/N(CCCCCC(=O)O)c4ccc(S(=O)(=O)O)cc4C3(C)C)CCC2)C(C)(C)c2cc(SOO[O-])ccc21

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.53
HTR1A P08908 1/20 0.43
FOLR1 P15328 6/20 0.43
PTPN1 P18031 1/20 0.40
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
ADORA1 P30542 1/20 0.39
PRMT1 Q99873 2/20 0.39
PRMT5 O14744 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
HRH2 P25021 2/20 0.36

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
SCHEMBL25489686 0.92 FOLH1 (0.60) FOLH1HTR1AFOLR1PTPN1DPP8
SCHEMBL25790122 0.91 FOLH1 (0.45) FOLH1HTR1AFOLR1PTPN1DPP8
SCHEMBL29362716 0.89 FOLH1 (0.57) FOLH1HTR1AFOLR1PTPN1DPP8
SCHEMBL16088183 0.89 FOLH1 (0.60) FOLH1HTR1AFOLR1PTPN1DPP8
SCHEMBL25789665 0.88 FOLH1 (0.51) FOLH1HTR1AFOLR1PTPN1DPP8
SCHEMBL12056709 0.87 FOLH1 (0.53) FOLH1HTR1AFOLR1PTPN1DPP8
SCHEMBL17087739 0.87 FOLH1 (0.54) FOLH1HTR1AFOLR1PTPN1DPP8
SCHEMBL20045200 0.86 FOLH1 (0.57) FOLH1HTR1AFOLR1PTPN1DPP8
SCHEMBL17694097 0.86 FOLH1 (0.57) FOLH1HTR1AFOLR1PTPN1DPP8
SCHEMBL18771178 0.86 FOLH1 (0.57) FOLH1HTR1AFOLR1PTPN1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219932-A1 COMPOUND AND LABELED BIOLOGICAL SUBSTANCE USING THE SAME FUJIFILM CORPORATION (JP) 2023-07-13 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-20230219932-A1 COMPOUND AND LABELED BIOLOGICAL SUBSTANCE USING THE SAME BMP1, BMP2, NPSR1 FOLH1 1233/4885HTR1A 990/4885FOLR1 1293/4885

“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.