SCHEMBL7918992

SCHEMBL7918992

COc1ccc(C(=O)O)c(CCc2ccc(Br)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.54
AKR1C2 P52895 2/20 0.54
FPR2 P25090 1/20 0.46
F2RL1 P55085 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43

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
SCHEMBL11687077 0.83 CA1 (0.54) AKR1C3AKR1C2F2RL1MEN1KMT2A
SCHEMBL11684208 0.81 RXRA (0.46) AKR1C3MEN1KMT2AKDM4EPOLB
SCHEMBL1988245 0.79 AKR1C3 (0.49) AKR1C3AKR1C2MAPK1RAB9AKDM4E
SCHEMBL4294900 0.79 SMN1; SMN2 (0.53) AKR1C3AKR1C2MAPK1RAB9AKDM4E
SCHEMBL8627436 0.79 HPSE (0.50) AKR1C3AKR1C2RAB9AKDM4EPOLB
SCHEMBL7591665 0.78 SMN1; SMN2 (0.51) AKR1C3AKR1C2MEN1KMT2AUSP2
SCHEMBL2667003 0.78 CA1 (0.51) RAB9AKDM4EPOLB
SCHEMBL2313019 0.77 AKR1C3 (0.54) AKR1C3AKR1C2MEN1KMT2ALMNA
SCHEMBL17978141 0.77 GPR183 (0.44) FFAR1FFAR4
SCHEMBL2317055 0.77 AKR1C3 (0.50) AKR1C3AKR1C2LMNAMAPK1RAB9A

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 6 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
US-8426447-B2 Spiro-tricyclic ring compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2013-04-23 US disclosed
US-20100087429-A1 SPIRO-TRICYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-04-08 US 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 333/4885FPR2 3828/4885

“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.