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Sugi Predict / Compounds / SCHEMBL4072995

SCHEMBL4072995

SCHEMBL4072995

O=C(NO)C(CC(O)[CH]Cc1ccc(OC(F)(F)F)cc1)C1CCC(F)(F)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.40
▸ KCNH2 Q12809 2/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ TEAD1 P28347 1/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ HTR2C P28335 2/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ MMP8 P22894 2/20 0.35
▸ MMP14 P50281 2/20 0.35
▸ VNN1 O95497 1/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ MMP7 P09237 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ HDAC1 Q13547 2/20 0.34
▸ FFAR4 Q5NUL3 2/20 0.34
▸ ACE P12821 1/20 0.34

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
SCHEMBL4072920 0.86 CCR1 (0.43) CCR1HDAC1HDAC3HDAC4HDAC7
SCHEMBL3837103 0.85 CCR1 (0.51) CCR1MMP8MMP1HDAC4HDAC8
SCHEMBL4071304 0.83 CCR1 (0.40) CCR1SCN9AEPHX2VNN1HDAC1
SCHEMBL4073007 0.82 CCR1 (0.46) CCR1KCNH2SCN5ASCN9AEPHX2
SCHEMBL4069330 0.80 CCR1 (0.42) CCR1TEAD1EPHX1HDAC1HDAC8
SCHEMBL4064299 0.80 CCR1 (0.41) CCR1EPHX1
SCHEMBL4068388 0.79 CCR1 (0.41) CCR1HDAC8HDAC6
SCHEMBL4063933 0.76 EPHX1 (0.36) SCN9ATEAD1HTR2CEPHX1MMP8
SCHEMBL4060435 0.75 CCR1 (0.41) CCR1
SCHEMBL4072014 0.74 CCR1 (0.46) CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966443-B1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER (US) 2009-01-28 — — EP disclosed
US-20020198207-A1 Novel Hexanoic acid derivatives KATH JOHN CHARLES (US) 2002-12-26 — — US disclosed
US-6403587-B1 AUTOIMMUNE DISEASES, ACUTE AND CHRONIC INFLAMMATORY CONDITIONS, ALLERGIC CONDITIONS, INFECTION ASSOCIATED WITH INFLAMMATION, VIRAL, TRANSPLANTATION TISSUE REJECTION, ATHEROSCLEROSIS, RESTENOSIS, HIV INFECTIVITY, AND PFIZER INC. 2002-06-11 — — US disclosed
EP-0966443-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER INC. (US) 1999-12-29 — — EP disclosed
WO-1998038167-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER INC. (US) 1998-09-03 — — 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-20020198207-A1 Novel Hexanoic acid derivatives HCAR3, HCAR1, FFAR1 CCR1 21/4885KCNH2 3386/4885SCN5A 2883/4885

“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.