Sugi Predict

Sugi Predict / Compounds / SCHEMBL4069433

SCHEMBL4069433

SCHEMBL4069433

CC(C)(O)c1cccc(CC(N)C(O)CC(C(=O)NO)C2CCCCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 3/20 0.40
▸ REN P00797 2/20 0.39
▸ MMP1 P03956 1/20 0.36
▸ FCER2 P06734 1/20 0.36
▸ CCR1 P32246 4/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KCNH2 Q12809 2/20 0.34
▸ CACNA1B Q00975 1/20 0.34
▸ UBE2M P61081 1/20 0.34
▸ DCUN1D1 Q96GG9 1/20 0.34
▸ MMP2 P08253 2/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ CTSV O60911 1/20 0.33
▸ CTSL P07711 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP9 Q86TI2 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33

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
SCHEMBL4067528 0.84 SLC1A1 (0.40) MMP1FCER2CCR1SMN1; SMN2DPP4
SCHEMBL4069333 0.79 CCR1 (0.47) EPHX1RENCCR1UBE2MDCUN1D1
SCHEMBL4070844 0.78 CCR1 (0.45) EPHX1RENCCR1DPP4DPP8
SCHEMBL4069111 0.78 C3AR1 (0.45) CCR1
SCHEMBL4071586 0.77 REN (0.42) RENCCR1
SCHEMBL4236699 0.75 REN (0.36) REN
SCHEMBL4069430 0.75 EPHX1 (0.38) EPHX1MMP1FCER2SMN1; SMN2KCNH2
SCHEMBL4068352 0.74 C3AR1 (0.40) EPHX1MMP1FCER2CCR1SMN1; SMN2
SCHEMBL3837106 0.72 CCR1 (0.60) RENMMP1FCER2CCR1MMP2
SCHEMBL7586283 0.71 CCR1 (0.56) EPHX1MMP1FCER2CCR1

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 EPHX1 805/4885REN 1314/4885MMP1 3704/4885

“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.