SCHEMBL2802030

SCHEMBL2802030

COc1ccc(Br)c(SCc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 5/20 0.49
CYP2C8 P10632 5/20 0.49
CYP2D6 P10635 5/20 0.49
CYP2C9 P11712 5/20 0.49
CYP2B6 P20813 5/20 0.49
CYP2C19 P33261 5/20 0.49
ALDH1A1 P00352 4/20 0.49
TP53 P04637 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL19297784 0.90 APP (0.49) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL29202305 0.81 ALDH1A1 (0.49) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL13065956 0.81 CYP2E1 (0.49) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL2127965 0.81 CYP2E1 (0.49) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL31011604 0.81 APP (0.49) ALDH1A1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL19308137 0.80 APP (0.45) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL29560732 0.80 APP (0.45) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL13024489 0.79 NPC1 (0.53) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL13065957 0.78 CYP2E1 (0.49) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL22492226 0.78 ALDH1A1 (0.49) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6

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
WO-2010132016-A1 BIS-(SULFONYLAMINO) DERIVATIVES FOR TREATMENT OF PAIN AND INFLAMMATION ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
WO-2010132016-A1 BIS-(SULFONYLAMINO) DERIVATIVES FOR TREATMENT OF PAIN AND INFLAMMATION ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
US-20100292279-A1 Bis-(Sulfonylamino) Derivatives in Therapy ASTRAZENECA AB (SE) 2010-11-18 US disclosed
US-20100292279-A1 Bis-(Sulfonylamino) Derivatives in Therapy ASTRAZENECA AB (SE) 2010-11-18 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-20100292279-A1 Bis-(Sulfonylamino) Derivatives in Therapy PTGER1, SULT2A1, SULT1E1 CYP2E1 5/4885CYP2C8 61/4885CYP2D6 20/4885

“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.