Sugi Predict

Sugi Predict / Compounds / SCHEMBL6300655

SCHEMBL6300655

SCHEMBL6300655

O=C(O)c1c([C@@H]2C[C@H]2C(=O)O)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 16/20 0.65
▸ ABCB11 O95342 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL6300653 1.00 CCR2 (0.65) CCR2ABCB11ALDH1A1LMNACYP1A2
SCHEMBL6302418 0.84 ABCB11 (0.55) CCR2ABCB11ALDH1A1LMNACYP1A2
SCHEMBL6302422 0.84 ABCB11 (0.55) CCR2ABCB11ALDH1A1LMNACYP1A2
SCHEMBL6599738 0.80 CCR2 (1.00) CCR2ABCB11ALDH1A1LMNACYP1A2
SCHEMBL6302591 0.79 CCR2 (1.00) CCR2ABCB11ALDH1A1LMNACYP1A2
SCHEMBL5213947 0.78 CCR2 (0.77) CCR2ABCB11ALDH1A1LMNACYP1A2
SCHEMBL6307042 0.78 CCR2 (0.77) CCR2ABCB11ALDH1A1LMNACYP1A2
SCHEMBL7076664 0.77 ABCB11 (0.53) CCR2ABCB11ALDH1A1LMNACYP1A2
SCHEMBL7076665 0.77 ABCB11 (0.53) CCR2ABCB11ALDH1A1LMNACYP1A2
SCHEMBL6307834 0.76 CCR2 (0.84) CCR2ABCB11ALDH1A1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326613-A1 USE OF SUBSTITUTED IMIDAZO 1,2-A]PYRIDINE-, IMIDAZO 1,2-A]PYRIMIDINE AND IMIDAZO 1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2003-07-16 — — EP claimed
EP-1003504-B1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS ASTRAZENECA AB (SE) 2003-07-02 — — EP claimed
US-6441004-B1 INDOLE DERIVATIVES AS ANTIINFLAMMATORY AGENTS ZENECA LIMITED (GB) 2002-08-27 — — US claimed
WO-2002030428-A1 USE OF SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE-, IMIDAZO[1,2-A]PYRIMIDINE AND IMIDAZO[1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2002-04-18 — — WO claimed
US-6953809-B2 Monocyte chemoattractant protein-1 inhibitor compounds ZENECA LIMITED (GB) 2005-10-11 — — US disclosed
US-20030119830-A1 Monocyte chemoattractant protein-1 inhibitor compounds ZENECA LIMITED 2003-06-26 — — US disclosed
US-6441004-B1 INDOLE DERIVATIVES AS ANTIINFLAMMATORY AGENTS ZENECA LIMITED (GB) 2002-08-27 — — US 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-20030119830-A1 Monocyte chemoattractant protein-1 inhibitor compounds CCL2, CCL11, CCR1 CCR2 4/4885ABCB11 506/4885ALDH1A1 1888/4885

“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.