SCHEMBL3306293

SCHEMBL3306293

O=[C]NCc1ccc(SC(F)(F)F)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRZ1 P23471 4/20 0.65
PTPN1 P18031 2/20 0.65
EPHX2 P34913 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42
ALKBH5 Q6P6C2 1/20 0.41
FTO Q9C0B1 1/20 0.41
KIF11 P52732 1/20 0.38
NAMPT P43490 1/20 0.38
TRPV1 Q8NER1 1/20 0.35
KCNK2 O95069 1/20 0.34
KCNK10 P57789 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA1 P00915 1/20 0.33

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
SCHEMBL515523 0.80 PTPRZ1 (0.42) PTPRZ1PTPN1EPHX2NR1H4ALDH1A1
SCHEMBL3310758 0.76 ALDH1A1 (0.46) EPHX2ALDH1A1KIF11NAMPT
SCHEMBL3306295 0.75 PTPRZ1 (0.70) PTPRZ1PTPN1EPHX2NR1H4ALDH1A1
SCHEMBL13123457 0.73 PTPRZ1 (0.79) PTPRZ1PTPN1EPHX2NR1H4ALDH1A1
SCHEMBL5542842 0.73 CA2 (0.33) PTPRZ1PTPN1EPHX2NR1H4ALDH1A1
SCHEMBL1486307 0.72 LMNA (0.47) ALDH1A1NPC1RAB9ACA1CA2
SCHEMBL95318 0.72 PTPRZ1 (0.61) PTPRZ1PTPN1EPHX2NR1H4ALDH1A1
SCHEMBL11081323 0.72 PTPRZ1 (0.69) PTPRZ1PTPN1EPHX2NR1H4ALDH1A1
SCHEMBL6001747 0.72 PTPRZ1 (0.65) PTPRZ1PTPN1EPHX2NR1H4ALDH1A1
SCHEMBL18998006 0.72 PTPRZ1 (0.65) PTPRZ1PTPN1EPHX2NR1H4ALDH1A1

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-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 SHIONOGI & CO., LTD. (JP) 2010-04-22 US disclosed
EP-2128134-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 Shionogi&Co., Ltd. (JP) 2009-12-02 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-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 MMP13, MMP3, MMP26 PTPRZ1 3926/4885PTPN1 2291/4885EPHX2 3735/4885

“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.