SCHEMBL533295

SCHEMBL533295

CC(C)Sc1ccc2c[c]sc2c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.34
ABL1 P00519 1/20 0.33
EPHX1 P07099 1/20 0.32
XDH P47989 1/20 0.31
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 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
SCHEMBL533499 0.80 AKR1C3 (0.34)
SCHEMBL533049 0.76 AR (0.34) AR
SCHEMBL533030 0.73 RAB9A (0.42) LMNASMN1; SMN2HIF1A
SCHEMBL533425 0.69 GABRA1 (0.40) ABL1EPHX1LMNACYP1A2CYP2C19
SCHEMBL533886 0.68 ALDH1A1 (0.44)
SCHEMBL5272958 0.67 EPHX1 (0.59) ARABL1EPHX1CYP1A2
SCHEMBL207540 0.66 CYP2A6 (0.38) LMNASMN1; SMN2
SCHEMBL7246322 0.66 ESR1 (0.41) CYP1A2HIF1A
SCHEMBL533531 0.66 XDH (0.40) ABL1XDHLMNACYP2C19
SCHEMBL533255 0.66 CYP1A2 (0.44) LMNACYP1A2SMN1; SMN2

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 AR 680/4885ABL1 2803/4885EPHX1 365/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 AR 799/4885ABL1 3139/4885EPHX1 363/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 AR 3719/4885ABL1 2982/4885EPHX1 914/4885

“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.