SCHEMBL4629461

SCHEMBL4629461

CCS(=O)(=O)c1cccc(-c2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.65
BRD4 O60885 2/20 0.55
CYP1A2 P05177 6/20 0.55
CYP3A4 P08684 6/20 0.55
CYP2C9 P11712 6/20 0.55
CYP2C19 P33261 6/20 0.55
FLT1 P17948 1/20 0.49
FLT4 P35916 1/20 0.49
KDR P35968 1/20 0.49
NR1H2 P55055 3/20 0.48
NR1H3 Q13133 2/20 0.47
LOX P28300 1/20 0.46
CYP2D6 P10635 3/20 0.46
LARS1 Q9P2J5 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.45

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
SCHEMBL1228349 0.87 CYP2C9 (0.58) PSIP1BRD4CYP1A2CYP3A4CYP2C9
SCHEMBL644484 0.85 MEN1 (0.53) PSIP1BRD4CYP1A2CYP3A4CYP2C9
SCHEMBL2704870 0.84 CYP2C9 (0.49) PSIP1BRD4CYP1A2CYP3A4CYP2C9
SCHEMBL2703373 0.83 CYP2C9 (0.48) PSIP1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL17263850 0.83 PSIP1 (0.68) PSIP1BRD4CYP1A2CYP3A4CYP2C9
SCHEMBL2705059 0.82 LARS1 (0.51) PSIP1BRD4CYP1A2CYP3A4CYP2C9
SCHEMBL4630948 0.81 CYP2C9 (0.47) PSIP1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL293991 0.81 PSIP1 (0.74) PSIP1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5134257 0.81 PSIP1 (0.74) PSIP1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL180713 0.80 PSIP1 (1.00) PSIP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
US-20110135604-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-06-09 US disclosed
EP-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 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-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA PSIP1 3985/4885BRD4 864/4885CYP1A2 486/4885
US-20110135604-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PSIP1 1500/4885BRD4 1594/4885CYP1A2 3826/4885

“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.