SCHEMBL6835906

SCHEMBL6835906

CNS(=O)(=O)c1cc(Cl)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.54
WDR5 P61964 5/20 0.53
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA3 P07451 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA13 Q8N1Q1 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
ACLY P53396 1/20 0.49
HSD17B2 P37059 1/20 0.47
POLB P06746 1/20 0.45
CNR1 P21554 1/20 0.45
HSP90AA1 P07900 2/20 0.43
HSP90AB1 P08238 1/20 0.43

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
SCHEMBL2372705 0.81 MCL1 (0.62) CA12CA1CA2CA3CA4
SCHEMBL5203092 0.81 PTGS1 (0.55) CA12CA1CA2CA7CA9
SCHEMBL26567167 0.79 CA12 (0.52) CA12CA1CA2CA3CA4
SCHEMBL11512510 0.79 MCL1 (0.61) CA12CA1CA2CA3CA4
SCHEMBL32664450 0.79 GAA (0.48) HSD17B2TSHRFTOMEN1LMNA
SCHEMBL11512517 0.79 MCL1 (0.61) CA12CA1CA2CA3CA4
SCHEMBL10868958 0.79 GAA (0.48) HSD17B2TSHRFTOMEN1LMNA
SCHEMBL3471628 0.78 POLB (0.61) P2RX1WDR5CA1CA2ACLY
SCHEMBL25341310 0.78 WDR5 (0.56) WDR5ACLYMAPT
SCHEMBL6130536 0.78 CA12 (0.50) CA12CA1CA2CA3CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040058932-A1 Novel piperazine derivatives PFIZER INC. 2004-03-25 US disclosed
US-6649611-B2 Potent and selective inhibitors of chemokine binding to its receptor CCR1 found on inflammatory and immunomodulatory cells (preferably leukocytes and lymphocytes). PFIZER, INC. 2003-11-18 US disclosed
EP-1268455-A2 PIPERAZINE DERIVATIVES Pfizer Products Inc. (US) 2003-01-02 EP disclosed
WO-2001072728-A9 NOVEL PIPERAZINE DERIVATIVES PFIZER PROD INC (US) 2002-10-10 WO disclosed
US-20020107255-A1 Novel piperazine derivatives PFIZER PRODUCTS INC. 2002-08-08 US disclosed
WO-2001072728-A2 NOVEL PIPERAZINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2001-10-04 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 (2 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-20040058932-A1 Novel piperazine derivatives IL5, IL17A, CCR2 P2RX1 955/4885WDR5 1265/4885CA12 4590/4885
US-20020107255-A1 Novel piperazine derivatives IL5, IL17A, CCR2 P2RX1 955/4885WDR5 1265/4885CA12 4590/4885

“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.