SCHEMBL3487352

SCHEMBL3487352

COC(=O)NCCOc1cc(C(=O)O)ccc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
USP2 O75604 2/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HSP90AA1 P07900 2/20 0.45
NPC1 O15118 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
TPMT P51580 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
KMT2A Q03164 3/20 0.41
BRD4 O60885 1/20 0.41
POLB P06746 1/20 0.41
CASP6 P55212 1/20 0.41

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
SCHEMBL13461338 0.89 HSP90AA1 (0.45) TSHRUSP2ALOX15MAPK1HSD17B10
SCHEMBL3487579 0.89 MGLL (0.45) ALOX15HSD17B10HSP90AA1NPC1CA12
SCHEMBL13434509 0.88 HSP90AA1 (0.44) USP2HSP90AA1NPC1KMT2ABRD4
SCHEMBL13433977 0.83 TDP1 (0.51) TSHRUSP2NPC1KMT2AHTT
SCHEMBL1346383 0.81 POLB (0.49) TSHRCA12CA1CA2CA4
SCHEMBL3488019 0.80 TSHR (0.48) TSHRUSP2CA12CA1CA2
SCHEMBL8773610 0.80 KMT2A (0.54) TSHRCA12CA1CA2CA4
SCHEMBL31500913 0.79 CA12 (0.48) HSP90AA1NPC1CA12CA1CA2
SCHEMBL2499117 0.79 TP53 (0.58) TSHRTP53SMPD1PTPN11
SCHEMBL979798 0.78 TSHR (0.43) TSHRCA12CA1CA2CA4

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
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 EP disclosed
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 EP 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-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 TSHR 634/4885USP2 4416/4885ALOX15 3020/4885

“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.