SCHEMBL2802997

SCHEMBL2802997

O=C(O)c1ccc(Br)c(OCCCF)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.44
POLB P06746 1/20 0.43
CASP6 P55212 1/20 0.43
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TTR P02766 2/20 0.41
ALB P02768 1/20 0.41
PLA2G2D Q9UNK4 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA7 P43166 1/20 0.41
TPMT P51580 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
TP53 P04637 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
SCHEMBL9996991 0.92 POLB (0.43) PTPN11POLBCASP6TSHRALDH1A1
SCHEMBL31500910 0.86 PLAU (0.47) PTPN11POLBCASP6TSHRALDH1A1
SCHEMBL2802209 0.85 PLA2G2D (0.45) PTPN11POLBCASP6TSHRALDH1A1
Bromide SCHEMBL31500914 0.84 PLAU (0.46) PTPN11POLBCASP6TSHRALDH1A1
Iodide SCHEMBL31500916 0.84 PLAU (0.46) PTPN11POLBCASP6TSHRALDH1A1
SCHEMBL2499117 0.84 TP53 (0.58) PTPN11TSHRALDH1A1HPGDTP53
SCHEMBL4910176 0.84 POLB (0.44) PTPN11POLBCASP6TSHRALDH1A1
SCHEMBL2804095 0.84 NOTUM (0.48) POLBTTRCA12CA1CA2
SCHEMBL3488019 0.83 TSHR (0.48) PTPN11POLBCASP6TSHRALDH1A1
SCHEMBL8773610 0.83 KMT2A (0.54) PTPN11POLBCASP6TSHRALDH1A1

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 PTPN11 4077/4885POLB 2414/4885CASP6 3764/4885

“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.