SCHEMBL1858874

SCHEMBL1858874

CC(C)(C)c1cc(Br)ccc1OC(=O)NC=S(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.49
USP2 O75604 1/20 0.41
ALPL P05186 1/20 0.41
ALOX15 P16050 1/20 0.41
RBP4 P02753 1/20 0.34
AAK1 Q2M2I8 6/20 0.34
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NCEH1 Q6PIU2 2/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 2/20 0.33
NR1H4 Q96RI1 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL29210715 0.77 PTGDR2 (0.56) PTGDR2USP2ALPLALOX15RBP4
SCHEMBL3982874 0.77 PTGDR2 (0.62) PTGDR2USP2ALPLALOX15RBP4
SCHEMBL399302 0.76 PTGDR2 (0.57) PTGDR2USP2ALPLALOX15RBP4
SCHEMBL3982876 0.75 PTGDR2 (0.65) PTGDR2USP2ALPLALOX15RBP4
SCHEMBL4010208 0.72 MGLL (0.44) RAB9ANPC1ALDH1A1MAPK1MEN1
SCHEMBL16217687 0.70 PTGDR2 (0.57) PTGDR2USP2ALPLALOX15RBP4
SCHEMBL7140733 0.68 PTGDR2 (0.51) PTGDR2USP2ALPLALOX15RBP4
SCHEMBL21629618 0.67 PTGDR2 (0.47) PTGDR2USP2ALPLALOX15RBP4
SCHEMBL1542948 0.66 PTGDR2 (0.56) PTGDR2USP2ALPLALOX15SMN1; SMN2
SCHEMBL29426974 0.66 PTGDR2 (0.56) PTGDR2USP2ALPLALOX15SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2011-05-05 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-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AKR1C3, TPD52L2, HCCS PTGDR2 1998/4885USP2 4144/4885ALPL 4286/4885

“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.