SCHEMBL533510

SCHEMBL533510

O=S(=O)(NCc1ccc(-c2nccs2)cc1)c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.51
ADRB2 P07550 1/20 0.51
MAPT P10636 1/20 0.50
CYP2C19 P33261 1/20 0.49
NAMPT P43490 3/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
AKT1 P31749 1/20 0.47
SCN3A Q9NY46 1/20 0.46
IDO1 P14902 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
PAX8 Q06710 1/20 0.44
CNR1 P21554 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL27823693 0.87 NAMPT (0.49) CYP2A6ADRB2MAPTCYP2C19NAMPT
SCHEMBL534569 0.81 LMNA (0.63) CYP2C19NAMPTLMNASMN1; SMN2AKT1
SCHEMBL534104 0.81 CA1 (0.57) ADRB2MAPTCYP2C19NAMPTSCN3A
SCHEMBL533526 0.79 L3MBTL1 (0.55) ADRB2LMNASMN1; SMN2SCN3ALOXL2
SCHEMBL18725052 0.78 KEAP1 (0.71) MAPTCYP2C19NAMPTLMNASMN1; SMN2
SCHEMBL533757 0.77 LMNA (0.56) MAPTCYP2C19NAMPTLMNASMN1; SMN2
SCHEMBL15651151 0.77 CA12 (0.59) MAPTCYP2C19NAMPTLMNASMN1; SMN2
SCHEMBL750261 0.77 MEN1 (0.58) MAPTCYP2C19NAMPTLMNASMN1; SMN2
SCHEMBL28413113 0.74 NAMPT (0.64) NAMPTLMNASMN1; SMN2ALDH1A1
SCHEMBL6276329 0.74 NAMPT (0.68) MAPTCYP2C19NAMPTLMNASMN1; SMN2

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 CYP2A6 215/4885ADRB2 25/4885MAPT 4180/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 CYP2A6 288/4885ADRB2 29/4885MAPT 4449/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 CYP2A6 43/4885ADRB2 373/4885MAPT 3554/4885

“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.