SCHEMBL2275593

SCHEMBL2275593

O=C(O)c1cccc(Cc2ccc3c(ccn3Cc3cccc(C(=O)O)c3)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.57
PLG P00747 1/20 0.57
GLO1 Q04760 1/20 0.49
CCR2 P41597 1/20 0.48
PLA2G10 O15496 1/20 0.48
HTT P42858 1/20 0.48
NR1H4 Q96RI1 1/20 0.47
PPARG P37231 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HIF1A Q16665 1/20 0.47
HDAC1 Q13547 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC10 Q969S8 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC9 Q9UKV0 2/20 0.46
POLB P06746 1/20 0.46
HDAC3 O15379 2/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL2273602 0.91 PLG (0.49) PLAUPLGCCR2PLA2G10HTT
SCHEMBL6193094 0.88 PLA2G10 (0.57) PLAUPLGGLO1CCR2PLA2G10
SCHEMBL27580834 0.86 PLAU (0.56) PLAUPLGGLO1CCR2PLA2G10
SCHEMBL2280081 0.86 GLO1 (0.59) PLAUPLGGLO1CCR2PLA2G10
SCHEMBL2277407 0.82 HDAC8 (0.61) NR1H4PPARGHDAC1HDAC2HDAC10
SCHEMBL30888879 0.82 PLAU (0.57) PLAUPLGPPARGHDAC1HDAC2
SCHEMBL15971036 0.82 PLAU (0.57) PLAUPLGPPARGHDAC1HDAC2
SCHEMBL3506074 0.82 PLG (0.52) PLAUPLGGLO1CCR2PPARG
SCHEMBL3674159 0.81 MRGPRX4 (0.62) NR1H4BCL2MCL1
SCHEMBL30185512 0.81 PLAU (0.56) PLAUPLGNR1H4PPARGHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455516-B2 HIV-1 fusion inhibitors and methods TOURO UNIVERSITY (US) 2013-06-04 US claimed
US-20110190343-A1 HIV-1 FUSION INHIBITORS AND METHODS TOURO UNIVERSITY (US) 2011-08-04 US claimed
US-8455516-B2 HIV-1 fusion inhibitors and methods TOURO UNIVERSITY (US) 2013-06-04 US disclosed
US-20110190343-A1 HIV-1 FUSION INHIBITORS AND METHODS TOURO UNIVERSITY (US) 2011-08-04 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 (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-20110190343-A1 HIV-1 FUSION INHIBITORS AND METHODS FLI1, API5, MAVS PLAU 4157/4885PLG 2799/4885GLO1 2812/4885

“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.