SCHEMBL2275677

SCHEMBL2275677

O=C(O)C(=O)c1c[nH]c2cc(Cc3cccc(C(=O)O)c3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
GABRA1 P14867 6/20 0.42
GABRB2 P47870 6/20 0.42
GABRB1 P18505 4/20 0.42
GABRA3 P34903 4/20 0.42
GABRP O00591 3/20 0.42
GABRD O14764 3/20 0.42
GABRG2 P18507 3/20 0.42
GABRB3 P28472 3/20 0.42
GABRA5 P31644 3/20 0.42
GABRA2 P47869 3/20 0.42
GABRA4 P48169 3/20 0.42
GABRE P78334 3/20 0.42
GABRA6 Q16445 3/20 0.42
GABRG1 Q8N1C3 3/20 0.42
GABRG3 Q99928 3/20 0.42
GABRQ Q9UN88 3/20 0.42

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
SCHEMBL2279626 0.80 PLG (0.47) PLA2G2ACA1CA2CA9GABRA1
SCHEMBL1558428 0.78 PRKAB2 (0.50) GABRA1GABRB2GABRB1GABRA3GABRP
SCHEMBL70351 0.74 FOLH1 (0.70) PLA2G2ACA1CA2CA9FOLH1
SCHEMBL30791058 0.74 FOLH1 (0.70) PLA2G2ACA1CA2CA9FOLH1
SCHEMBL2277951 0.72 KDM4E (0.62) PLA2G2ACA1CA2CA9FOLH1
SCHEMBL6419348 0.71 F7 (0.51) ALDH1A1HPGDHAT1EP300
SCHEMBL1296450 0.71 CA1 (0.63) PLA2G2ACA1CA2CA9FOLH1
SCHEMBL1926951 0.71 FOLH1 (0.66) PLA2G2ACA1CA2CA9FOLH1
SCHEMBL28757823 0.71 MDH2 (0.72) PLA2G2AALDH1A1HPGDMDH2SMN1; SMN2
SCHEMBL1559466 0.70 HTR3E (0.49) GABRA1GABRB2GABRB1GABRA3GABRP

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 PLA2G2A 4237/4885CA1 4364/4885CA2 4377/4885

“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.