SCHEMBL534075

SCHEMBL534075

CC(C)(C)Oc1ccc2c[c]sc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.35
ABL1 P00519 1/20 0.33
SRD5A1 P18405 1/20 0.31
NPC1 O15118 1/20 0.30
GMNN O75496 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
GAA P10253 1/20 0.30
CYP2C9 P11712 1/20 0.30
PKM P14618 1/20 0.30
ALOX15 P16050 1/20 0.30
NFKB1 P19838 1/20 0.30
SLC6A2 P23975 1/20 0.30
SCN4A P35499 1/20 0.30
RAB9A P51151 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL533171 0.84 NPC1 (0.31) NPC1GMNNUSP2LMNATP53
SCHEMBL533345 0.83 NPC1 (0.46) KIF11NPC1GMNNUSP2LMNA
SCHEMBL533031 0.80 CYP1A2 (0.45) NPC1CYP1A2CYP3A4RAB9ASMN1; SMN2
SCHEMBL533036 0.76 KMT2A (0.46) NPC1LMNATP53CYP1A2CYP3A4
SCHEMBL533913 0.76 ALDH1A1 (0.39) ABL1LMNATP53CYP3A4GAA
SCHEMBL533424 0.76 ALOX15 (0.34) ABL1LMNACYP3A4CYP2C9PKM
SCHEMBL3820319 0.74 KIF11 (0.47) KIF11ABL1SRD5A1NPC1CYP1A2
SCHEMBL533355 0.72
SCHEMBL533531 0.72 XDH (0.40) ABL1NPC1LMNACYP2C9RAB9A
SCHEMBL3794893 0.71 MRGPRX4 (0.40) KIF11ABL1NPC1GMNNUSP2

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 KIF11 3619/4885ABL1 2803/4885SRD5A1 2044/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 KIF11 3705/4885ABL1 3139/4885SRD5A1 2319/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 KIF11 2467/4885ABL1 2982/4885SRD5A1 1402/4885

“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.