SCHEMBL5464915

SCHEMBL5464915

CS(=O)(=O)c1ccc(Nc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.50
▸ CA2 P00918 4/20 0.50
▸ CA12 O43570 3/20 0.50
▸ CA9 Q16790 3/20 0.50
▸ CA3 P07451 1/20 0.50
▸ CA6 P23280 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ CA5A P35218 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ CA14 Q9ULX7 1/20 0.50
▸ CA5B Q9Y2D0 1/20 0.50
▸ PTGES O14684 1/20 0.49
▸ PTGS2 P35354 1/20 0.49
▸ F2 P00734 1/20 0.49
▸ PRSS1 P07477 1/20 0.49
▸ PRSS2 P07478 1/20 0.49
▸ PRSS3 P35030 1/20 0.49
▸ TGM2 P21980 1/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47

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
SCHEMBL34837 0.88 CA2 (0.61) CA1CA2CA12CA9CA3
Hydrochloric Acid SCHEMBL11213950 0.86 CA2 (0.59) CA1CA2CA12CA9CA3
SCHEMBL11732738 0.84 CA1 (0.60) CA1CA2CA12CA9TGM2
SCHEMBL1834055 0.84 CA12 (0.71) CA1CA2CA12CA9MEN1
SCHEMBL25667539 0.84 ENPP2 (0.54) CA1CA2CA12CA9TGM2
SCHEMBL2349058 0.82 CA12 (0.66) CA1CA2CA12CA9CA3
SCHEMBL251773 0.82 TSHR (0.67) CA1CA2CA12CA9CA3
SCHEMBL8012545 0.81 CA2 (0.78) CA1CA2CA12CA9CA3
SCHEMBL209732 0.80 KMT2A (0.58) CA1CA2CA12CA9KMT2A
SCHEMBL3245767 0.80 MEN1 (0.58) PTGS2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129433-A1 Diphenylamine derivatives MERCK PATENT GMBH (DE) 2007-06-07 — — US claimed
EP-1687253-A2 DIPHENYLAMINE DERIVATIVES Merk Patent Gmbh (DE) 2006-08-09 — — EP claimed
WO-2005051888-A2 DIPHENYLAMINE DERIVATIVES MERK PATENT GMBH (DE) 2005-06-09 — — WO claimed
US-20070129433-A1 Diphenylamine derivatives MERCK PATENT GMBH (DE) 2007-06-07 — — US disclosed
US-20070123586-A1 Nitroso derivatives of diphenylamine MERCK PATENT GMBH (DE) 2007-05-31 — — 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-20070123586-A1 Nitroso derivatives of diphenylamine NOS3, CBR3, CBR1 CA1 2615/4885CA2 1737/4885CA12 3617/4885
US-20070129433-A1 Diphenylamine derivatives CCNY, CHKB, CHKA CA1 1145/4885CA2 346/4885CA12 2021/4885

“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.

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