SCHEMBL2998377

SCHEMBL2998377

CCCC(NS(=O)(=O)c1ccc(Cl)cc1)c1nnc(C)n1CC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 1.00
KMT2A Q03164 1/20 0.48
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 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
SCHEMBL3009942 0.85 S1PR1 (1.00) S1PR1KMT2A
SCHEMBL3010430 0.84 S1PR1 (1.00) S1PR1
SCHEMBL3005146 0.84 S1PR1 (1.00) S1PR1KMT2ACYP2D6CYP2C19
SCHEMBL3013815 0.80 S1PR1 (1.00) S1PR1CYP2D6CYP2C19
SCHEMBL2381271 0.79 S1PR1 (0.65) S1PR1
SCHEMBL12248510 0.78 S1PR1 (0.64) S1PR1KMT2ACYP2D6CYP2C19
SCHEMBL12249607 0.75 S1PR1 (0.60) S1PR1KMT2A
SCHEMBL12249525 0.74 S1PR1 (0.59) S1PR1KMT2A
SCHEMBL12249460 0.74 S1PR1 (0.59) S1PR1KMT2ACYP2D6CYP2C19
SCHEMBL12249426 0.74 S1PR1 (0.62) S1PR1

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
US-20100197749-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB 2010-08-05 US disclosed
US-20100197749-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB 2010-08-05 US disclosed
US-20100197749-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB 2010-08-05 US disclosed
EP-1979332-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2008-10-15 EP disclosed
WO-2007083089-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2007-07-26 WO disclosed
WO-2007083089-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2007-07-26 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-20100197749-A1 CHEMICAL COMPOUNDS EDF1, ECE1, EDNRA S1PR1 945/4885KMT2A 2713/4885CYP2D6 1374/4885

“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.