SCHEMBL19071925

SCHEMBL19071925

O=[N+]([O-])c1ccc(S(=O)(=O)O)c(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
NT5E P21589 2/20 0.47
PDE7A Q13946 1/20 0.46
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
PKM P14618 2/20 0.44
HSD11B1 P28845 2/20 0.44
FFAR4 Q5NUL3 1/20 0.44
POLB P06746 1/20 0.44
HTT P42858 4/20 0.43
MAPT P10636 3/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 3/20 0.41
MAPK1 P28482 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
GALR3 O60755 1/20 0.41

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
SCHEMBL27895288 0.87 PDE7A (0.48) ALDH1A1PDE7AMEN1KMT2APKM
SCHEMBL28022994 0.84 ALDH1A1 (0.44) ALDH1A1NT5EPDE7AMEN1KMT2A
SCHEMBL8142655 0.84 PDE7A (0.46) ALDH1A1PDE7AMEN1KMT2APKM
SCHEMBL6194504 0.84 PDE7A (0.49) ALDH1A1PDE7AMEN1KMT2APKM
SCHEMBL2029532 0.84 ALDH1A1 (0.46) ALDH1A1PDE7AMEN1KMT2APKM
SCHEMBL1870872 0.84 TRPV4 (0.53) ALDH1A1PDE7AMEN1KMT2APKM
SCHEMBL3589341 0.81 ALDH1A1 (0.44) ALDH1A1PDE7AMEN1KMT2APKM
SCHEMBL3717211 0.81 ALDH1A1 (0.52) ALDH1A1PDE7AMEN1KMT2APKM
SCHEMBL5759569 0.80 CA12 (0.53) ALDH1A1PDE7AMEN1KMT2APKM
SCHEMBL11433652 0.80 ALDH1A1 (0.60) ALDH1A1PDE7AMEN1KMT2APKM

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-20170283787-A1 METHOD FOR NON-ENZYMATIC COMBINATION OF NUCLEIC ACID CHAINS JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2017-10-05 US disclosed
US-20170283787-A1 METHOD FOR NON-ENZYMATIC COMBINATION OF NUCLEIC ACID CHAINS JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2017-10-05 US disclosed
EP-3187584-A1 METHOD FOR NON-ENZYMATIC COMBINATION OF NUCLEIC ACID CHAINS Japan Science and Technology Agency (JP) 2017-07-05 EP 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-20170283787-A1 METHOD FOR NON-ENZYMATIC COMBINATION OF NUCLEIC ACID CHAINS RNGTT, POLRMT, DNTT ALDH1A1 1261/4885NT5E 93/4885PDE7A 800/4885

“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.