SCHEMBL2279626

SCHEMBL2279626

O=Cc1c[nH]c2cc(Cc3cccc(C(=O)O)c3)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.47
PLAU P00749 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
CYP2A6 P11509 2/20 0.46
PLA2G2A P14555 1/20 0.44
IMPDH2 P12268 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
FOLH1 Q04609 1/20 0.42
ERN1 O75460 2/20 0.42
SNCA P37840 3/20 0.41
GPR17 Q13304 1/20 0.41
UNG P13051 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 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
SCHEMBL7487153 0.87 CYP2A6 (0.57) PLGPLAUCYP2A6IMPDH2KDM4E
SCHEMBL2219992 0.81 PLG (0.68) PLGPLAUCYP2A6IMPDH2KDM4E
SCHEMBL29951912 0.81 PLG (0.68) PLGPLAUCYP2A6IMPDH2KDM4E
SCHEMBL2275677 0.80 PLA2G2A (0.44) CA1CA2CA9PLA2G2AALDH1A1
SCHEMBL8746137 0.76 CYP2A6 (0.57) CYP2A6IMPDH2KDM4EALDH1A1MAPT
SCHEMBL1296450 0.74 CA1 (0.63) CA1CA2CA9PLA2G2AFOLH1
SCHEMBL1926951 0.74 FOLH1 (0.66) CA1CA2CA9PLA2G2AFOLH1
SCHEMBL30791058 0.74 FOLH1 (0.70) CA1CA2CA9PLA2G2AFOLH1
SCHEMBL70351 0.74 FOLH1 (0.70) CA1CA2CA9PLA2G2AFOLH1
SCHEMBL2557250 0.74 ERN1 (0.59) CYP2A6IMPDH2KDM4EALDH1A1ERN1

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 PLG 2799/4885PLAU 4157/4885CA1 4364/4885

“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.