SCHEMBL16255254

SCHEMBL16255254

Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1NC(=O)c1ccc(NC(=O)Nc2ccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)O)c5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c45)ccc3C)cc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY11 Q96G91 7/20 0.84
TIMP3 P35625 5/20 0.84
HPSE Q9Y251 5/20 0.84
RECQL P46063 5/20 0.84
KMT2A Q03164 5/20 0.84
HSD17B10 Q99714 5/20 0.84
TDP1 Q9NUW8 5/20 0.84
MAPT P10636 4/20 0.84
PKM P14618 4/20 0.84
P2RX1 P51575 4/20 0.84
P2RX3 P56373 4/20 0.84
MEN1 O00255 3/20 0.84
USP2 O75604 2/20 0.84
BRCA1 P38398 2/20 0.84
SIRT2 Q8IXJ6 2/20 0.84
SIRT1 Q96EB6 2/20 0.84
ENPP3 O14638 1/20 0.84
ENTPD3 O75355 1/20 0.84
NR1I2 O75469 1/20 0.84
PRKD3 O94806 1/20 0.84

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
SCHEMBL11510571 0.94 P2RY11 (0.83) P2RY11TIMP3HPSERECQLKMT2A
SCHEMBL11426198 0.92 P2RY11 (0.80) P2RY11TIMP3HPSERECQLKMT2A
Suramin SCHEMBL29371906 0.91 P2RY11 (1.00) P2RY11TIMP3HPSERECQLKMT2A
Suramin SCHEMBL3161 0.91 P2RY11 (1.00) P2RY11TIMP3HPSERECQLKMT2A
Suramin SCHEMBL30312075 0.91 P2RY11 (1.00) P2RY11TIMP3HPSERECQLKMT2A
Suramin SCHEMBL30552218 0.91 P2RY11 (1.00) P2RY11TIMP3HPSERECQLKMT2A
Suramin SCHEMBL29357785 0.91 P2RY11 (1.00) P2RY11TIMP3HPSERECQLKMT2A
SCHEMBL3359656 0.91 TIMP3 (1.00) P2RY11TIMP3HPSERECQLKMT2A
SCHEMBL375471 0.90 P2RY11 (0.80) P2RY11TIMP3HPSERECQLKMT2A
SCHEMBL11414391 0.90 RECQL (0.80) P2RY11TIMP3HPSERECQLKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140343294-A1 PHARMACEUTICAL COMPOUNDS KEMOTECH S.R.L. (IT) 2014-11-20 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-20140343294-A1 PHARMACEUTICAL COMPOUNDS CYP3A43, CYP2D6, CYP2C9 P2RY11 1517/4885TIMP3 2350/4885HPSE 1206/4885

“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.