SCHEMBL533641

SCHEMBL533641

ClC(Cl)c1cccc(-c2cc[c]cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
PTPN5 P54829 6/20 0.35
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
MEN1 O00255 1/20 0.31
ESR1 P03372 1/20 0.31
KMT2A Q03164 1/20 0.31
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
MAOA P21397 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
SCHEMBL1538533 0.83 TSHR (0.59) TSHRRXRARXRBRXRGPTPN5
SCHEMBL11317818 0.81 TSHR (0.48) TSHRRXRARXRBRXRGPTPN5
SCHEMBL533828 0.80 NOTUM (0.41) RXRARXRBRXRGPTPN5CTSL
SCHEMBL533468 0.80 RXRA (0.54) RXRARXRBRXRGPTPN5CYP3A4
SCHEMBL11973522 0.78 MEN1 (0.48) CYP3A4CYP2C9HSD17B1HSD17B2MEN1
SCHEMBL533383 0.76 TSHR (0.42) TSHR
SCHEMBL1968724 0.75 ALDH1A1 (0.44) CYP3A4CYP2C9HSD17B1HSD17B2MEN1
SCHEMBL2448089 0.73 MAOA (0.48) CYP3A4CYP2C9HSD17B1HSD17B2MEN1
SCHEMBL23957 0.73 MAOA (0.48) CYP3A4CYP2C9HSD17B1HSD17B2MEN1
SCHEMBL533190 0.72 TAAR1 (0.53) TSHR

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 TSHR 987/4885RXRA 572/4885RXRB 1016/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 TSHR 831/4885RXRA 621/4885RXRB 1008/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 TSHR 1525/4885RXRA 886/4885RXRB 919/4885

“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.