SCHEMBL18177309

SCHEMBL18177309

COc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C(=O)O)cc3)ccc2C)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 1/20 0.77
▸ MEN1 O00255 4/20 0.74
▸ KMT2A Q03164 4/20 0.74
▸ NPC1 O15118 1/20 0.74
▸ MAPT P10636 6/20 0.70
▸ TP53 P04637 1/20 0.65
▸ ALDH1A1 P00352 4/20 0.62
▸ POLB P06746 2/20 0.62
▸ UBE2N P61088 1/20 0.62
▸ IDH1 O75874 1/20 0.61
▸ LMNA P02545 5/20 0.60
▸ SMN1; SMN2 Q16637 4/20 0.60
▸ HPGD P15428 3/20 0.60
▸ GAA P10253 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ MITF O75030 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ RPA1 P27694 1/20 0.56

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
SCHEMBL13532199 0.88 MAPT (0.90) PTGER4MEN1KMT2ANPC1MAPT
SCHEMBL13870863 0.85 MEN1 (1.00) PTGER4MEN1KMT2ANPC1MAPT
SCHEMBL6403077 0.84 KMT2A (0.81) PTGER4MEN1KMT2ANPC1MAPT
SCHEMBL13532193 0.82 MEN1 (0.74) MEN1KMT2AALDH1A1POLBLMNA
SCHEMBL14292254 0.82 MAPT (0.76) PTGER4MEN1KMT2ANPC1MAPT
SCHEMBL27180675 0.81 MAPT (0.82) MEN1KMT2ANPC1MAPTTP53
SCHEMBL30927002 0.81 MAPT (0.82) MEN1KMT2ANPC1MAPTTP53
SCHEMBL31556104 0.80 RAD51 (0.69) PTGER4MEN1KMT2ANPC1MAPT
SCHEMBL31556105 0.80 RAD51 (0.69) PTGER4MEN1KMT2ANPC1MAPT
SCHEMBL13532177 0.79 MAPT (0.72) PTGER4MEN1KMT2ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016172545-A1 CASTRATION-RESISTANT PROSTATE CANCER NUTECH VENTURES (US) 2016-10-27 — — WO disclosed
US-20160310528-A1 Castration-Resistant Prostate Cancer NUTECH VENTURES 2016-10-27 — — US disclosed
US-20160310528-A1 Castration-Resistant Prostate Cancer NUTECH VENTURES 2016-10-27 — — 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-20160310528-A1 Castration-Resistant Prostate Cancer UGDH, G6PD, DPYD PTGER4 3674/4885MEN1 2328/4885KMT2A 1415/4885

“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.

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