Sugi Predict

Sugi Predict / Compounds / SCHEMBL3109683

SCHEMBL3109683

SCHEMBL3109683

Cc1cc(C(=O)N2CC(O)[C@@H](N3CCN(Cc4ccc(Cl)cc4)CC3)C2)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LSS P48449 2/20 0.46
▸ GPR183 P32249 1/20 0.46
▸ USP2 O75604 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ SLC18A3 Q16572 2/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.41
▸ ITGB1 P05556 1/20 0.41
▸ ITGA5 P08648 1/20 0.41

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
SCHEMBL13157839 0.91 LSS (0.47) LSSGPR183USP2TSHRDRD2
SCHEMBL3096837 0.91 LSS (0.47) LSSGPR183USP2TSHRDRD2
SCHEMBL3105384 0.91 GPR183 (0.48) LSSGPR183SLC18A3HTR1ADRD2
SCHEMBL13157851 0.91 GPR183 (0.48) LSSGPR183SLC18A3HTR1ADRD2
SCHEMBL13157846 0.90 GPR183 (0.47) LSSGPR183SLC18A3HTR1ADRD2
SCHEMBL3099995 0.90 GPR183 (0.47) LSSGPR183SLC18A3HTR1ADRD2
SCHEMBL13157754 0.89 GPR183 (0.50) LSSGPR183USP2TSHRBLM
SCHEMBL3111103 0.89 GPR183 (0.50) LSSGPR183USP2TSHRBLM
SCHEMBL3093080 0.89 GPR183 (0.47) LSSGPR183SLC18A3HTR1ADRD2
SCHEMBL13157769 0.89 GPR183 (0.47) LSSGPR183SLC18A3HTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399455-B2 Compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-03-19 — — US disclosed
US-8399455-B2 Compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-03-19 — — US disclosed
US-8399455-B2 Compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-03-19 — — US disclosed
US-20100234356-A1 COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-16 — — US disclosed
US-20100234356-A1 COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-16 — — US disclosed
US-20100234356-A1 COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-16 — — US disclosed
US-7635698-B2 Compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-12-22 — — US disclosed
US-7635698-B2 Compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-12-22 — — 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-20100234356-A1 COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS ACKR3, CCR5, CXCR2 LSS 3057/4885GPR183 72/4885USP2 4618/4885

“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.