SCHEMBL16557575

SCHEMBL16557575

COc1ccc(C)cc1N(CC(=O)Nc1cccnc1)S(C)(=O)=O

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.81
▸ SMN1; SMN2 Q16637 1/20 0.79
▸ HPGD P15428 6/20 0.70
▸ MEN1 O00255 3/20 0.69
▸ KMT2A Q03164 3/20 0.69
▸ TP53 P04637 1/20 0.66
▸ ALDH1A1 P00352 5/20 0.66
▸ HTT P42858 2/20 0.63
▸ NPC1 O15118 2/20 0.60
▸ RAB9A P51151 1/20 0.60

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
SCHEMBL16560516 0.90 POLB (1.00) POLBSMN1; SMN2HPGDALDH1A1HTT
SCHEMBL16557563 0.88 HPGD (0.83) POLBSMN1; SMN2HPGDMEN1KMT2A
SCHEMBL16557481 0.88 MEN1 (0.76) POLBSMN1; SMN2HPGDMEN1KMT2A
SCHEMBL15583940 0.83 HPGD (1.00) POLBSMN1; SMN2HPGDMEN1KMT2A
SCHEMBL16557567 0.82 HPGD (0.82) POLBSMN1; SMN2HPGDMEN1KMT2A
SCHEMBL15583802 0.81 HPGD (0.84) POLBSMN1; SMN2HPGDMEN1KMT2A
SCHEMBL15583867 0.80 HPGD (0.79) POLBSMN1; SMN2HPGDMEN1KMT2A
SCHEMBL15583885 0.79 HPGD (1.00) POLBSMN1; SMN2HPGDMEN1KMT2A
SCHEMBL15583871 0.79 HPGD (1.00) POLBSMN1; SMN2HPGDTP53ALDH1A1
SCHEMBL15583808 0.78 HPGD (0.79) POLBSMN1; SMN2HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790233-B2 Compositions and methods of modulating 15-PGDH activity CASE WESTERN RESERVE UNIVERSITY (US) 2017-10-17 — — US disclosed
US-20150072998-A1 COMPOSITIONS AND METHODS OF MODULATING 15-PGDH ACTIVITY BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2015-03-12 — — 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-20150072998-A1 COMPOSITIONS AND METHODS OF MODULATING 15-PGDH ACTIVITY PTGS1, HPGD, PTGIS POLB 1826/4885SMN1; SMN2 3855/4885HPGD 2/4885

“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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