SCHEMBL533220

SCHEMBL533220

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
KIF11 P52732 2/20 0.39
PTPN1 P18031 5/20 0.37
PTPN5 P54829 3/20 0.37
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
MAOB P27338 1/20 0.33
KDM1A O60341 1/20 0.33
S1PR5 Q9H228 1/20 0.32
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
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
SCHEMBL1538849 0.85 TSHR (0.52) TSHRKIF11PTPN1PTPN5RXRA
Hydrogen Sulfide SCHEMBL27896845 0.81 TSHR (0.56) TSHRKIF11PTPN1PTPN5RXRA
SCHEMBL142774 0.80 MAOB (0.51) TSHRKIF11PTPN1PTPN5MAOB
SCHEMBL533489 0.80 KIF11 (0.61) KIF11PTPN1PTPN5RXRARXRB
SCHEMBL11973522 0.78 MEN1 (0.48) CYP3A4CYP2C9HSD17B1HSD17B2MEN1
SCHEMBL534268 0.76 TSHR (0.42) TSHRKIF11
SCHEMBL1538783 0.75 MAOB (0.50) TSHRKIF11MAOBKDM1AS1PR5
SCHEMBL1968724 0.75 ALDH1A1 (0.44) CYP3A4CYP2C9HSD17B1HSD17B2MEN1
SCHEMBL23957 0.73 MAOA (0.48) CYP3A4CYP2C9HSD17B1HSD17B2MEN1
SCHEMBL2448089 0.73 MAOA (0.48) CYP3A4CYP2C9HSD17B1HSD17B2MEN1

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 987/4885KIF11 3619/4885PTPN1 2282/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 TSHR 831/4885KIF11 3705/4885PTPN1 2509/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 TSHR 1525/4885KIF11 2467/4885PTPN1 2557/4885

“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.