SCHEMBL2153289

SCHEMBL2153289

COc1cccc(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 2/20 1.00
HTT P42858 4/20 0.85
GAA P10253 3/20 0.85
TDP1 Q9NUW8 5/20 0.85
CYP2C9 P11712 2/20 0.85
ALOX12 P18054 2/20 0.85
CYP2C19 P33261 2/20 0.85
CYP3A4 P08684 1/20 0.85
L3MBTL1 Q9Y468 1/20 0.85
MAPT P10636 8/20 0.76
CYP2D6 P10635 1/20 0.76
ALDH1A1 P00352 6/20 0.72
LMNA P02545 3/20 0.65
TP53 P04637 1/20 0.65
PHGDH O43175 4/20 0.62
MEN1 O00255 1/20 0.61
PKM P14618 1/20 0.61
KMT2A Q03164 1/20 0.61
KCNH2 Q12809 1/20 0.61
MAPK1 P28482 1/20 0.52

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
SCHEMBL2153976 0.80 MAPT (0.70) CCR6HTTGAATDP1CYP2C9
SCHEMBL28322333 0.74 MAPT (0.69) CCR6HTTGAATDP1CYP2C9
SCHEMBL15911569 0.73 MAPT (0.67) CCR6HTTGAATDP1CYP2C9
SCHEMBL3730926 0.73 MAPT (0.61) CCR6HTTGAATDP1CYP2C9
SCHEMBL30301697 0.73 MAPT (0.61) CCR6HTTGAATDP1CYP2C9
SCHEMBL6629173 0.69 MAPT (0.65) CCR6HTTGAATDP1CYP2C9
SCHEMBL30301712 0.69 MAPT (0.65) CCR6HTTGAATDP1CYP2C9
SCHEMBL3679927 0.69 TAAR1 (0.72)
SCHEMBL1265183 0.69 MAPT (0.68) CCR6HTTTDP1CYP2C9CYP2C19
SCHEMBL4254513 0.69 TAAR1 (0.79) HTTGAAL3MBTL1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120295890-A1 GLYCOSAMINOGLYCAN INHIBITORS Zacharon Pharmaceutical, Inc. (US) 2012-11-22 US disclosed
WO-2011082175-A2 GLYCOSAMINOGLYCAN INHIBITORS ZACHARON PHARMACEUTICALS, INC. (US) 2011-07-07 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-20120295890-A1 GLYCOSAMINOGLYCAN INHIBITORS CSGALNACT1, FUT5, ST3GAL3 CCR6 1153/4885HTT 2106/4885GAA 107/4885

“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.