SCHEMBL534569

SCHEMBL534569

O=S(=O)(NCc1ccc(-c2ccccc2)cc1)c1cccnc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
NAMPT P43490 2/20 0.60
KEAP1 Q14145 1/20 0.58
CNR1 P21554 1/20 0.58
PAX8 Q06710 1/20 0.55
IDO1 P14902 1/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA12 O43570 1/20 0.54
CA9 Q16790 1/20 0.54
CYP2C19 P33261 1/20 0.52
AKT1 P31749 1/20 0.52
POLB P06746 1/20 0.51
NR3C2 P08235 2/20 0.50
NR3C1 P04150 1/20 0.50

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
SCHEMBL18725052 0.91 KEAP1 (0.71) LMNASMN1; SMN2NAMPTKEAP1PAX8
SCHEMBL27823659 0.85 NAMPT (0.60) LMNASMN1; SMN2NAMPTKEAP1CNR1
SCHEMBL5510248 0.84 CA2 (0.57) LMNASMN1; SMN2NAMPTKEAP1CNR1
SCHEMBL533757 0.84 LMNA (0.56) LMNASMN1; SMN2NAMPTKEAP1PAX8
SCHEMBL15651151 0.84 CA12 (0.59) LMNASMN1; SMN2NAMPTKEAP1PAX8
SCHEMBL750261 0.84 MEN1 (0.58) LMNASMN1; SMN2NAMPTKEAP1PAX8
SCHEMBL1876581 0.83 IDO1 (0.70) LMNASMN1; SMN2NAMPTKEAP1PAX8
SCHEMBL27083341 0.83 SMN1; SMN2 (0.64) LMNASMN1; SMN2NAMPTCNR1PAX8
SCHEMBL27083363 0.82 SMN1; SMN2 (0.82) LMNASMN1; SMN2NAMPTKEAP1CA1
SCHEMBL533510 0.81 CYP2A6 (0.51) LMNASMN1; SMN2NAMPTCNR1PAX8

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 LMNA 2331/4885SMN1; SMN2 3764/4885NAMPT 2339/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 LMNA 2721/4885SMN1; SMN2 4030/4885NAMPT 2422/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 LMNA 807/4885SMN1; SMN2 4735/4885NAMPT 3499/4885

“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.