SCHEMBL1023938

SCHEMBL1023938

CS(=O)(=O)OCc1ccc([N+](=O)[O-])cc1I

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
CYP19A1 P11511 16/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL1530459 0.91 CYP19A1 (0.44) CYP19A1ALDH1A1TSHRTDP1
SCHEMBL1530204 0.84 CYP19A1 (0.40) CYP19A1ALDH1A1TDP1
SCHEMBL1827226 0.84 ALDH1A1 (0.50) MEN1KMT2ACYP19A1ALDH1A1TSHR
SCHEMBL5913007 0.84 CYP1A2 (0.51) MEN1KMT2ACYP19A1ALDH1A1TSHR
SCHEMBL5673054 0.82 HSD17B10 (0.49) MEN1LMNAKMT2AHTTCYP19A1
SCHEMBL5035784 0.82 CYP19A1 (0.54) LMNAKMT2AHTTCYP19A1ALDH1A1
SCHEMBL5906181 0.81 HTT (0.53) LMNAHTTCYP19A1ALDH1A1TDP1
SCHEMBL6295384 0.81 CYP19A1 (0.40) CYP19A1ALDH1A1TDP1
SCHEMBL7020172 0.81 HSD17B10 (0.50) MEN1LMNAKMT2ACYP19A1ALDH1A1
SCHEMBL3553831 0.81 CYP19A1 (0.43) CYP19A1ALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK MEN1 1321/4885LMNA 4393/4885KMT2A 382/4885

“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.