SCHEMBL533496

SCHEMBL533496

N#Cc1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.85
CA1 P00915 1/20 0.66
CA2 P00918 1/20 0.66
CA9 Q16790 1/20 0.66
CYP1A2 P05177 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
NAMPT P43490 2/20 0.55
CYP3A4 P08684 1/20 0.55
GAA P10253 1/20 0.55
CYP2D6 P10635 1/20 0.55
PKM P14618 2/20 0.52
POLB P06746 1/20 0.52
HPGD P15428 1/20 0.52
NSD2 O96028 1/20 0.52
CXCR4 P61073 1/20 0.51
USP2 O75604 1/20 0.51
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL20946444 0.85 CYP19A1 (0.85) CYP19A1CA1CA2CA9NAMPT
SCHEMBL1169440 0.85 CYP19A1 (0.85) CYP19A1NAMPTPOLBNSD2MEN1
SCHEMBL120014 0.84 CYP19A1 (0.84) CYP19A1CA1CA2CA9CYP1A2
SCHEMBL4662881 0.84 CYP19A1 (0.84) CYP19A1CA1CA2CA9CYP1A2
SCHEMBL17690441 0.82 CYP19A1 (0.80) CYP19A1CA1CA2CA9NAMPT
SCHEMBL7983897 0.82 CYP19A1 (0.80) CYP19A1CA1CA2CA9NAMPT
SCHEMBL5783946 0.82 CYP19A1 (0.79) CYP19A1NAMPTGAAALDH1A1
SCHEMBL7986035 0.81 CYP19A1 (0.78) CYP19A1NAMPTNSD2ALDH1A1
SCHEMBL7983776 0.81 CYP19A1 (0.78) CYP19A1NAMPTNSD2ALDH1A1
SCHEMBL7983880 0.80 CYP19A1 (0.76) CYP19A1NAMPTALDH1A1

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 CYP19A1 1523/4885CA1 2988/4885CA2 355/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 CYP19A1 1517/4885CA1 3053/4885CA2 359/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 CYP19A1 433/4885CA1 1757/4885CA2 79/4885

“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.