SCHEMBL2440503

SCHEMBL2440503

O=C(OCc1ccccc1)[C@H](Cc1ccc(Br)cc1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPOR P19235 3/20 0.43
FABP7 O15540 1/20 0.43
FABP5 Q01469 1/20 0.43
CTRB1 P17538 2/20 0.43
TSHR P16473 1/20 0.43
LTA4H P09960 1/20 0.42
LAP3 P28838 1/20 0.42
MME P08473 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM1A O60341 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL2059549 0.92 CTRB1 (0.49) EPORCTRB1LTA4HLAP3KMT2A
SCHEMBL7438541 0.92 CTRB1 (0.49) EPORCTRB1LTA4HLAP3KMT2A
Hydrochloric Acid SCHEMBL28475258 0.90 CTRB1 (0.48) EPORCTRB1LTA4HLAP3KMT2A
SCHEMBL13535120 0.89 LMNA (0.49) EPORCTRB1LTA4HLAP3KMT2A
SCHEMBL24595742 0.88 MMP8 (0.49) EPORMMEMEN1KMT2ASMN1; SMN2
SCHEMBL13535129 0.87 HCAR2 (0.47) EPOR
SCHEMBL21295478 0.86 EPOR (0.43) EPORCTRB1LTA4HLAP3KMT2A
SCHEMBL21295477 0.86 EPOR (0.43) EPORCTRB1LTA4HLAP3KMT2A
SCHEMBL13535122 0.86 EPOR (0.46) EPORCTRB1LTA4HLAP3ALDH1A1
Hydrochloric Acid SCHEMBL21295474 0.85 EPOR (0.42) EPORCTRB1LTA4HLAP3KMT2A

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-1697344-B1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2011-09-28 EP disclosed
US-7834043-B2 Prevent reproduct of aids virus ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-20100249181-A1 HIV Protease Inhibiting Compounds ABBOTT LABORATORIES (US) 2010-09-30 US disclosed
US-20050148623-A1 Prevent reproduct of aids virus ABBVIE INC. 2005-07-07 US disclosed
US-20050131017-A1 HIV protease inhibiting compounds ABBOTT LABORATORIES 2005-06-16 US 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-20050148623-A1 Prevent reproduct of aids virus SERPINB1, PRSS1, SERPINA3 EPOR 3731/4885FABP7 4503/4885FABP5 3941/4885
US-20050131017-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP EPOR 4567/4885FABP7 2111/4885FABP5 2343/4885
US-20100249181-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP EPOR 4567/4885FABP7 2111/4885FABP5 2343/4885

“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.