SCHEMBL4436600

SCHEMBL4436600

COc1ccnc(O)c1C(=O)O.[LiH].[LiH]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.53
CA2 P00918 4/20 0.53
CA12 O43570 3/20 0.53
CA7 P43166 3/20 0.53
CA9 Q16790 3/20 0.53
CA14 Q9ULX7 3/20 0.53
HTT P42858 1/20 0.40
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
CA3 P07451 1/20 0.39
PKM P14618 1/20 0.39
CA5A P35218 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMO O15229 2/20 0.38
KDM4C Q9H3R0 1/20 0.38

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
SCHEMBL10762448 0.98 CA1 (0.55) CA1CA2CA12CA7CA9
SCHEMBL24936187 0.84 CYP3A4 (0.43) CA1CA2CA12CA7CA9
SCHEMBL29632426 0.84 CYP3A4 (0.43) CA1CA2CA12CA7CA9
SCHEMBL14090941 0.82 CA12 (0.46) CA1CA2CA12CA7CA9
SCHEMBL7042463 0.81 CA12 (0.57) CA1CA2CA12CA7CA9
Lithium Ion SCHEMBL4436603 0.81 CA1 (0.39) CA1CA2CA12CA7CA9
SCHEMBL9082035 0.80 CA12 (0.55) CA1CA2CA12CA7CA9
SCHEMBL4969142 0.79 CA12 (0.53) CA1CA2CA12CA7CA9
SCHEMBL21905825 0.79 CA12 (0.53) CA1CA2CA12CA7CA9
SCHEMBL32689464 0.79 CA12 (0.53) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125739-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2009-12-02 EP disclosed
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US disclosed
WO-2008079371-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-07-03 WO 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-20080188528-A1 Modulators of C3a receptor and methods of use thereof C3AR1, C5, C5AR1 CA1 3413/4885CA2 3182/4885CA12 3615/4885

“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.