SCHEMBL5031542

SCHEMBL5031542

CCCC(=O)Nc1ccc(-c2cc(-c3nccs3)ccc2I)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ TP53 P04637 2/20 0.50
▸ PORCN Q9H237 3/20 0.48
▸ CYP2C9 P11712 1/20 0.46
▸ RAB9A P51151 4/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ PTGDR2 Q9Y5Y4 1/20 0.44
▸ CASP3 P42574 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43
▸ MAPT P10636 4/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ HDAC2 Q92769 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
SCHEMBL5127917 0.91 ADORA2A (0.51) ADORA2ACYP2C19PORCNCYP2C9RAB9A
SCHEMBL5028509 0.89 ADORA2A (0.53) ADORA2ACYP2C19TP53PORCNCYP2C9
SCHEMBL5031519 0.89 ADORA2A (0.53) ADORA2ACYP2C19TP53PORCNCYP2C9
SCHEMBL5030678 0.88 ADORA2A (0.52) ADORA2ACYP2C19TP53PORCNCYP2C9
SCHEMBL5033002 0.88 ADORA2A (0.52) ADORA2ACYP2C19TP53PORCNCYP2C9
SCHEMBL5028466 0.86 PTGDR2 (0.52) ADORA2ACYP2C19TP53PORCNCYP2C9
SCHEMBL5132678 0.82 ADORA2A (0.51) ADORA2ATP53PORCNRAB9AMEN1
SCHEMBL5115420 0.80 PTGDR2 (0.43) PORCNPTGDR2HDAC2
SCHEMBL5034918 0.80 PORCN (0.52) ADORA2ACYP2C19PORCNCYP2C9RAB9A
SCHEMBL5030737 0.80 ADORA2A (0.51) ADORA2ACYP2C19PORCNRAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623871-B2 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-01-07 — — US claimed
EP-1998612-A2 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-12-10 — — EP claimed
US-20070254363-A1 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 — — US claimed
WO-2007087442-A2 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 — — WO claimed
US-20140121217-A1 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-05-01 — — US disclosed
US-8623871-B2 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-01-07 — — US disclosed
EP-1998612-A2 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-12-10 — — EP disclosed
US-20070254363-A1 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 — — US disclosed
WO-2007087442-A2 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 — — WO disclosed
WO-2007087442-A2 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 — — 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 (2 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-20070254363-A1 Substituted biaryl compounds for inflammation and immune-related uses CCR1, CCR3, CXCR2 ADORA2A 229/4885CYP2C19 399/4885TP53 605/4885
US-20140121217-A1 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CCR3, CXCR2 ADORA2A 229/4885CYP2C19 399/4885TP53 605/4885

“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.

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