SCHEMBL6835198

SCHEMBL6835198

COC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)C(C)NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
TSHR P16473 2/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 1/20 0.42
KCNQ4 P56696 3/20 0.41
KCNQ5 Q9NR82 3/20 0.41
CACNA1B Q00975 1/20 0.39
KLK5 Q9Y337 1/20 0.39
PSEN1 P49768 3/20 0.38
PSEN2 P49810 3/20 0.38
APH1B Q8WW43 3/20 0.38
NCSTN Q92542 3/20 0.38
APH1A Q96BI3 3/20 0.38
PSENEN Q9NZ42 3/20 0.38
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 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
SCHEMBL6075777 1.00 CTSS (0.44) CTSSCTSKTSHRMEN1KMT2A
SCHEMBL5060017 1.00 CTSS (0.44) CTSSCTSKTSHRMEN1KMT2A
SCHEMBL5064260 1.00 CTSS (0.44) CTSSCTSKTSHRMEN1KMT2A
SCHEMBL5055741 1.00 CTSS (0.44) CTSSCTSKTSHRMEN1KMT2A
SCHEMBL7147027 1.00 CTSS (0.44) CTSSCTSKTSHRMEN1KMT2A
SCHEMBL5064577 1.00 CTSS (0.44) CTSSCTSKTSHRMEN1KMT2A
SCHEMBL27603663 0.90 CTSS (0.47) CTSSCTSKTSHRMEN1KMT2A
SCHEMBL5059303 0.89 MEN1 (0.43) CTSSCTSKTSHRMEN1KMT2A
SCHEMBL27713373 0.89 MEN1 (0.43) CTSSCTSKTSHRMEN1KMT2A
SCHEMBL4187135 0.89 KLK5 (0.49) CTSSCTSKMEN1KMT2AKLK5

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 CTSS 1657/4885CTSK 901/4885TSHR 3476/4885
US-20020107255-A1 Novel piperazine derivatives IL5, IL17A, CCR2 CTSS 1657/4885CTSK 901/4885TSHR 3476/4885

“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.