Sugi Predict

Sugi Predict / Compounds / SCHEMBL4770848

SCHEMBL4770848

SCHEMBL4770848

Cc1ccc(F)cc1CN(c1ccc(C(C(N)=O)c2ccc(C(F)(F)F)nc2)cc1)S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.36
▸ P2RX7 Q99572 7/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAP4K4 O95819 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ MINK1 Q8N4C8 1/20 0.34
▸ PI4KB Q9UBF8 1/20 0.34
▸ PER2 O15055 1/20 0.34
▸ CRY1 Q16526 1/20 0.34
▸ CRY2 Q49AN0 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ PTK2 Q05397 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
SCHEMBL5571608 0.90 P2RX7 (0.42) TRPA1P2RX7PER2CRY1CRY2
SCHEMBL4771252 0.89 ALDH1A1 (0.47) ALDH1A1P2RX7KMT2AMAPTMEN1
SCHEMBL4770828 0.87 P2RX7 (0.38) TRPA1P2RX7TRPV1
SCHEMBL4776639 0.87 ALDH1A1 (0.40) TRPA1ALDH1A1P2RX7KMT2AMAPT
SCHEMBL4773598 0.85 KMT2A (0.38) TRPA1P2RX7KMT2AL3MBTL1MAPT
SCHEMBL4773370 0.85 ALDH1A1 (0.41) ALDH1A1P2RX7KMT2AMAPTMEN1
SCHEMBL4770849 0.84 ALDH1A1 (0.39) ALDH1A1P2RX7KMT2AMAPTMEN1
SCHEMBL4775019 0.84 P2RX7 (0.41) P2RX7KMT2AMAPTMEN1TP53
SCHEMBL4776875 0.84 P2RX7 (0.38) TRPA1ALDH1A1P2RX7LMNATRPV1
SCHEMBL4777514 0.84 P2RX7 (0.42) P2RX7KMT2AMAPTMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 — — EP claimed
US-20070135435-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-14 — — US claimed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 — — WO claimed
EP-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 — — EP disclosed
US-20070135435-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-14 — — US disclosed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 — — 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-20070135435-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 TRPA1 4529/4885ALDH1A1 2159/4885P2RX7 4514/4885

“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.