SCHEMBL533171

SCHEMBL533171

ClC(Cl)(Cl)Oc1ccc2c[c]sc2c1

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
GMNN O75496 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
PKM P14618 1/20 0.31
ALOX15 P16050 1/20 0.31
NFKB1 P19838 1/20 0.31
SLC6A2 P23975 1/20 0.31
SCN4A P35499 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
SLC6A3 Q01959 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL533345 0.84 NPC1 (0.46) NPC1RAB9AGMNNUSP2LMNA
SCHEMBL534075 0.84 KIF11 (0.35) NPC1RAB9AGMNNUSP2LMNA
SCHEMBL533031 0.78 CYP1A2 (0.45) NPC1RAB9ACYP1A2CYP3A4SMN1; SMN2
SCHEMBL533424 0.77 ALOX15 (0.34) LMNACYP3A4CYP2C9PKMALOX15
SCHEMBL533355 0.77
SCHEMBL533464 0.74 TSHR (0.38)
SCHEMBL533913 0.74 ALDH1A1 (0.39) LMNATP53CYP3A4GAASMN1; SMN2
SCHEMBL533036 0.74 KMT2A (0.46) NPC1RAB9ALMNATP53CYP1A2
SCHEMBL533037 0.71 CA12 (0.48) NPC1RAB9ALMNAGAAPKM
SCHEMBL207540 0.71 CYP2A6 (0.38) NPC1RAB9ALMNATP53CYP3A4

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 NPC1 3585/4885RAB9A 2549/4885GMNN 4460/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 NPC1 3814/4885RAB9A 2112/4885GMNN 4510/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 NPC1 1105/4885RAB9A 1700/4885GMNN 2862/4885

“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.