SCHEMBL15880765

SCHEMBL15880765

COc1cc(C(=O)NC(COS(C)(=O)=O)COS(C)(=O)=O)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.46
▸ AR P10275 1/20 0.46
▸ PELP1 Q8IZL8 1/20 0.46
▸ ALDH1A1 P00352 8/20 0.44
▸ MYC P01106 1/20 0.44
▸ MAX P61244 1/20 0.44
▸ TAS1R3 Q7RTX0 3/20 0.44
▸ TAS1R1 Q7RTX1 3/20 0.44
▸ GAA P10253 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 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
SCHEMBL15880250 0.90 ALDH1A1 (0.50) ARPELP1ALDH1A1MYCMAX
SCHEMBL15880253 0.90 ALDH1A1 (0.50) ARPELP1ALDH1A1MYCMAX
SCHEMBL15880646 0.83 HTT (0.52) HTTARPELP1ALDH1A1MYC
SCHEMBL29137456 0.78 ALDH1A1 (0.51) ALDH1A1GAACYP3A4TSHRTDP1
SCHEMBL30184323 0.78 ALDH1A1 (0.51) ALDH1A1GAACYP3A4TSHRTDP1
SCHEMBL15880256 0.78 ALDH1A1 (0.56) HTTARPELP1ALDH1A1MYC
SCHEMBL15880254 0.78 ALDH1A1 (0.56) HTTARPELP1ALDH1A1MYC
SCHEMBL309800 0.77 ALDH1A1 (0.53) HTTARPELP1ALDH1A1MYC
SCHEMBL2823137 0.76 TAS1R3 (0.53) HTTARPELP1ALDH1A1MYC
SCHEMBL2823132 0.76 TAS1R3 (0.53) HTTARPELP1ALDH1A1MYC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9795607-B2 Substituted pyrrolopyrimidine compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2017-10-24 — — US disclosed
EP-3202403-A1 SUBSTITUTED PYRROLOPYRIMIDINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, LLC (US) 2017-08-09 — — EP disclosed
EP-2945636-B1 SUBSTITUTED PYRROLOPYRIMIDINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2017-06-28 — — EP disclosed
US-20160324861-A1 SUBSTITUTED PYRROLOPYRIMIDINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICAL LLC (US) 2016-11-10 — — US disclosed
US-9428509-B2 Substituted pyrrolopyrimidine compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2016-08-30 — — US disclosed
EP-2945636-A2 SUBSTITUTED PYRROLOPYRIMIDINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, LLC (US) 2015-11-25 — — EP disclosed
WO-2014113429-A2 SUBSTITUTED PYRROLOPYRIMIDINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2014-07-24 — — WO 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-20160324861-A1 SUBSTITUTED PYRROLOPYRIMIDINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BRCA1, DPYD, TYMP HTT 3360/4885AR 2294/4885PELP1 152/4885

“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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