SCHEMBL2802839

SCHEMBL2802839

COC(=O)c1ccc(Br)c(OCCCO)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 4/20 0.49
CYP4F2 P78329 3/20 0.48
NOTUM Q6P988 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 3/20 0.45
TTR P02766 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
XDH P47989 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
SMPD1 P17405 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL15994552 0.93 NOTUM (0.47) CYP4A11CYP4F2NOTUMMAPTTTR
SCHEMBL12068781 0.88 NOTUM (0.49) CYP4A11CYP4F2NOTUMPOLBMAPT
SCHEMBL2934404 0.88 KDM4E (0.46) NOTUMMAPTTTRALDH1A1CA12
SCHEMBL14930286 0.88 ESR1 (0.52) NOTUMMAPTALDH1A1SMPD1TDP1
SCHEMBL2804095 0.87 NOTUM (0.48) NOTUMPOLBMAPTTTRCA12
SCHEMBL3901339 0.87 MAPT (0.48) NOTUMPOLBMAPTALDH1A1CA12
SCHEMBL4913133 0.87 NOTUM (0.47) NOTUMMAPTTTRALDH1A1CA12
SCHEMBL1344274 0.87 MAPT (0.50) NOTUMMAPTTTRALDH1A1CA12
SCHEMBL25856848 0.85 NOTUM (0.49) NOTUMMAPTTTRALDH1A1CA12
SCHEMBL2802155 0.85 NOTUM (0.52) NOTUMMAPTTTRALDH1A1CA12

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 5 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
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 CYP4A11 42/4885CYP4F2 71/4885NOTUM 954/4885

“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.