SCHEMBL534104

SCHEMBL534104

O=S(=O)(NCc1ccc(-c2nccs2)cc1)c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
SCN3A Q9NY46 1/20 0.55
ADRB2 P07550 1/20 0.52
TP53 P04637 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP19A1 P11511 1/20 0.51
MAPT P10636 2/20 0.50
NAMPT P43490 1/20 0.49
CYP2C19 P33261 2/20 0.49
KIT P10721 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
PKM P14618 1/20 0.46
USP2 O75604 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46

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
SCHEMBL533510 0.81 CYP2A6 (0.51) SCN3AADRB2MAPTNAMPTCYP2C19
SCHEMBL27823693 0.79 NAMPT (0.49) SCN3AADRB2MAPTNAMPTCYP2C19
SCHEMBL533526 0.77 L3MBTL1 (0.55) SCN3AADRB2LOXL2
SCHEMBL4589649 0.77 PDPK1 (0.63) ADRB2MAPTKMT2ACYP1A2PKM
SCHEMBL20946426 0.73 CA1 (0.77) CA1CA2CA9CYP19A1NAMPT
SCHEMBL7507787 0.73 CA1 (0.71) CA1CA2CA9CYP19A1MAPT
SCHEMBL27950175 0.73 CA9 (0.71) CA1CA2CA9TP53CYP19A1
SCHEMBL4663044 0.73 KEAP1 (0.76) CA1CA2CA9CYP19A1CYP2C19
SCHEMBL6289448 0.73 CYP19A1 (0.78) CA1CA2CA9CYP19A1KMT2A
SCHEMBL534329 0.72 CA1 (0.54) CA1CA2CA9TP53TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP disclosed
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 US disclosed
US-8648097-B2 Pyridylaminoacetic acid compound UBE INDUSTRIES, LTD. (JP) 2014-02-11 US disclosed
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA UBE INDUSTRIES, LTD. (JP) 2012-07-26 US disclosed
EP-2415763-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA Ube Industries, Ltd. (JP) 2012-02-08 EP disclosed
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE CORPORATION (JP) 2011-03-03 US disclosed
EP-2264009-A1 PYRIDYLAMINOACETIC ACID COMPOUND Ube Industries, Ltd. (JP) 2010-12-22 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 (3 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-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 CA1 2988/4885CA2 355/4885CA9 2107/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 CA1 3053/4885CA2 359/4885CA9 2125/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 CA1 1757/4885CA2 79/4885CA9 639/4885

“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.