SCHEMBL2278773

SCHEMBL2278773

COc1cccc(-n2ccc3ccc(Cc4cccc(C(=O)O)c4)cc32)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.52
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
THRB P10828 1/20 0.46
MEP1B Q16820 1/20 0.45
PTGER4 P35408 1/20 0.45
PTGER2 P43116 1/20 0.45
PPARG P37231 1/20 0.44
MMP13 P45452 1/20 0.44
HCAR3 P49019 1/20 0.43
KDM4E B2RXH2 1/20 0.43
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
PRSS1 P07477 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
SCHEMBL2277153 0.90 F2 (0.51) MRGPRX4KDM4EF2F10PRSS1
SCHEMBL2277407 0.80 HDAC8 (0.61) MRGPRX4TP53PKMNFKB1RAB9A
SCHEMBL30954365 0.80 THRB (0.58) MRGPRX4RAB9ASMN1; SMN2THRBHCAR3
SCHEMBL29221030 0.80 THRB (0.58) MRGPRX4RAB9ASMN1; SMN2THRBHCAR3
SCHEMBL12403338 0.77 CA1 (0.47) MRGPRX4SMN1; SMN2MEP1B
SCHEMBL31674610 0.76 MRGPRX4 (0.71) MRGPRX4TP53PKMNFKB1RAB9A
SCHEMBL12373314 0.74 CA1 (0.44) MRGPRX4MEP1B
SCHEMBL2275910 0.74 PTGER4 (0.52) MRGPRX4PTGER4PTGER2PPARGHCAR3
SCHEMBL2273602 0.73 PLG (0.49)
SCHEMBL1356949 0.72 PLA2G10 (0.54) RAB9AKDM4ETDP1L3MBTL1

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 MRGPRX4 3121/4885TP53 1725/4885PKM 3353/4885

“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.