Sugi Predict

Sugi Predict / Compounds / SCHEMBL6166511

SCHEMBL6166511

SCHEMBL6166511

CC(F)(CCC(CC([CH]Cc1ccccc1)O[Si](C)(C)C(C)(C)C)C(=O)NCCO)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CCR1 P32246 5/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ PRSS1 P07477 2/20 0.31
▸ TMPRSS15 P98073 2/20 0.31
▸ USP2 O75604 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL6165984 0.90 CCR1 (0.33) CCR1
SCHEMBL6898468 0.77 — —
SCHEMBL4066973 0.77 HPGD (0.35) CYP3A4CCR1KDM4EALDH1A1
SCHEMBL6168755 0.76 CTSA (0.32) —
SCHEMBL4067483 0.76 RAB9A (0.40) CYP3A4CCR1ALDH1A1NPC1RAB9A
SCHEMBL6166223 0.76 ACKR3 (0.30) —
SCHEMBL4060470 0.75 PLAAT3 (0.41) NPC1RAB9A
SCHEMBL4071319 0.75 ESRRG (0.41) CCR1NPC1RAB9A
SCHEMBL6166514 0.75 CYP3A4 (0.43) CYP3A4TSHRCCR1
SCHEMBL6675011 0.74 CCR1 (0.43) CYP3A4CCR1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1498417-A1 Heterocyclic amide derivatives Pfizer Products Inc. (US) 2005-01-19 — — EP disclosed
WO-2004039375-A1 METHODS OF USING CCR1 ANTAGONISTS AS IMMUNOMODULATORY AGENTS PFIZER PRODUCTS INC. (US) 2004-05-13 — — WO disclosed
US-20040087571-A1 Methods of using CCR1 antagonists as immunomodulatory agents PFIZER INC 2004-05-06 — — US disclosed
US-6689886-B2 TREATMENT OF INFLAMMATION AND OTHER IMMUNE DISORDERS PFIZER INC. 2004-02-10 — — US disclosed
US-20030204086-A1 Novel heterocyclic amide derivatives BROWN MATTHEW F (US) 2003-10-30 — — US disclosed
US-6548671-B2 Treating autoimmune diseases, inflammatory conditions, allergies, infections, viral diseases, bronchitis, transplant tissue rejection, atherosclerosis, restenosis, HIV infectivity, and granulomatous PFIZER INC 2003-04-15 — — US disclosed
EP-1252154-A1 HETEROCYCLIC AMIDE DERIVATIVES Pfizer Products Inc. (US) 2002-10-30 — — EP disclosed
US-20020132810-A1 Novel heterocyclic amide derivatives BROWN MATTHEW F (US) 2002-09-19 — — US disclosed
WO-2001057023-A1 HETEROCYCLIC AMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 2001-08-09 — — 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 (3 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-20030204086-A1 Novel heterocyclic amide derivatives HAX1, ARG1, CXCR2 CYP3A4 677/4885TSHR 3391/4885CCR1 58/4885
US-20040087571-A1 Methods of using CCR1 antagonists as immunomodulatory agents CCR1, CCR3, CCRL2 CYP3A4 3553/4885TSHR 1258/4885CCR1 1/4885
US-20020132810-A1 Novel heterocyclic amide derivatives ARG1, IL4, ARG2 CYP3A4 382/4885TSHR 1936/4885CCR1 32/4885

“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.