SCHEMBL533036

SCHEMBL533036

CCOc1ccc2c[c]sc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 4/20 0.46
TP53 P04637 2/20 0.46
CYP3A4 P08684 2/20 0.46
TSHR P16473 2/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA4 P22748 2/20 0.45
CA6 P23280 2/20 0.45
CA5A P35218 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
CA5B Q9Y2D0 2/20 0.45
CYP1A2 P05177 2/20 0.45
MAPT P10636 6/20 0.44
PSMB8 P28062 1/20 0.44
NQO1 P15559 1/20 0.43
LMNA P02545 3/20 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
SCHEMBL533265 0.87 CA12 (0.48) KMT2AALDH1A1CYP3A4TSHRCA12
SCHEMBL533037 0.87 CA12 (0.48) KMT2AALDH1A1HSD17B10TSHRCA12
SCHEMBL5535942 0.86 NQO1 (0.43) KMT2AALDH1A1HSD17B10TP53CYP3A4
SCHEMBL534840 0.84 CA12 (0.46) TP53TSHRCA12CA1CA4
SCHEMBL534319 0.83 NR5A1 (0.45) TP53TSHRCA12CA1CA4
SCHEMBL533531 0.82 XDH (0.40) ALDH1A1HSD17B10TSHRMAPTLMNA
SCHEMBL533031 0.80 CYP1A2 (0.45) KMT2AALDH1A1HSD17B10CYP3A4TSHR
SCHEMBL533227 0.78 GPBAR1 (0.38) MAPTNPC1RAB9AAKR1C3AKR1C2
SCHEMBL533913 0.76 ALDH1A1 (0.39) KMT2AALDH1A1HSD17B10TP53CYP3A4
SCHEMBL29629327 0.74 NQO1 (0.68) KMT2AALDH1A1HSD17B10TP53CYP3A4

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 12 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
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP 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
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 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 (4 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 KMT2A 4267/4885ALDH1A1 355/4885HSD17B10 467/4885
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 KMT2A 723/4885ALDH1A1 204/4885HSD17B10 2492/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 KMT2A 820/4885ALDH1A1 256/4885HSD17B10 2492/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 KMT2A 3385/4885ALDH1A1 377/4885HSD17B10 483/4885

“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.