SCHEMBL1999191

SCHEMBL1999191

Cc1ccc(C(=O)O)c(Oc2ccc(Br)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.46
AKR1C2 P52895 2/20 0.46
LPAR1 Q92633 1/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.43
CSNK2A1 P68400 1/20 0.42
SORT1 Q99523 3/20 0.42
XDH P47989 1/20 0.41
MAPK1 P28482 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PYGL P06737 1/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
PLAT P00750 1/20 0.40
MCL1 Q07820 1/20 0.40

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
SCHEMBL47045 0.87 AKR1C3 (0.47) AKR1C3AKR1C2KDM4EPOLBCYP2C9
SCHEMBL23086259 0.86 AKR1C3 (0.51) AKR1C3AKR1C2LPAR1KDM4EPOLB
SCHEMBL5590785 0.85 LPAR1 (0.49) LPAR1KDM4EPOLBCSNK2A1MAPK1
SCHEMBL21327649 0.81 KDM4E (0.54) AKR1C3AKR1C2KDM4EPOLBMAPK1
SCHEMBL15897450 0.81 AKR1C3 (0.43) AKR1C3AKR1C2KDM4EPOLBXDH
Hydrochloric Acid SCHEMBL9672210 0.81 TTR (0.48) AKR1C3AKR1C2KDM4EPOLBMAPK1
SCHEMBL10292483 0.80 KDM4E (0.55) AKR1C3AKR1C2LPAR1KDM4EPOLB
SCHEMBL21327630 0.80 STAT3 (0.48) KDM4EPOLBSORT1RXFP1MAPT
SCHEMBL11579296 0.79 AKR1C3 (0.58) AKR1C3AKR1C2KDM4EPOLBNPC1
SCHEMBL489914 0.79 SLC6A4 (0.47) AKR1C3KDM4EPOLBRXFP1CYP2C9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2328903-B1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2014-03-05 EP disclosed
US-8426447-B2 Spiro-tricyclic ring compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2013-04-23 US disclosed
EP-2328903-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2011-06-08 EP disclosed
US-20100087429-A1 SPIRO-TRICYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-04-08 US disclosed
WO-2010030954-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-03-18 WO 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 (1 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-20100087429-A1 SPIRO-TRICYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP AKR1C3 102/4885AKR1C2 333/4885LPAR1 2071/4885

“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.