SCHEMBL533596

SCHEMBL533596

O=S(=O)(NCc1cc2ccccc2o1)c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.52
PTGER2 P43116 2/20 0.52
MAPT P10636 1/20 0.48
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
SLC40A1 Q9NP59 2/20 0.42
GLO1 Q04760 1/20 0.42
CCR2 P41597 1/20 0.41
CYP2C19 P33261 1/20 0.41
NAMPT P43490 1/20 0.41

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
SCHEMBL19198551 0.76 ALDH1A1 (0.47) PTGER2MAPTALDH1A1KDM4EHPGD
SCHEMBL3459976 0.75 PTGER2 (0.46) IDO1PTGER2MAPTALDH1A1KDM4E
SCHEMBL18725052 0.73 KEAP1 (0.71) IDO1MAPTSMN1; SMN2LMNACYP2C19
SCHEMBL3459978 0.71 PTGER2 (0.73) PTGER2
SCHEMBL21960091 0.70 NAPRT (0.57) IDO1MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL3459980 0.70 PTGER2 (0.72) PTGER2
SCHEMBL1876581 0.69 IDO1 (0.70) IDO1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL534569 0.69 LMNA (0.63) IDO1SMN1; SMN2LMNACYP2C19NAMPT
SCHEMBL3447394 0.68 ALDH1A1 (0.59) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL28580223 0.68 NAPRT (0.53) IDO1MAPTALDH1A1SMN1; SMN2LMNA

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 IDO1 417/4885PTGER2 1/4885MAPT 4180/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 IDO1 566/4885PTGER2 1/4885MAPT 4449/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 IDO1 1101/4885PTGER2 24/4885MAPT 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.