SCHEMBL10059593

SCHEMBL10059593

CC(C)Oc1ccc(-n2c(=O)ccc3cc(C(=O)Nc4cccc(S(N)(=O)=O)c4)[nH]c32)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.45
CA1 P00915 9/20 0.42
CA9 Q16790 5/20 0.42
CA12 O43570 3/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CA4 P22748 2/20 0.41
KDR P35968 1/20 0.41
CA7 P43166 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL10059717 0.92 TOP2A (0.40) CA2MAPTALDH1A1MEN1KMT2A
SCHEMBL16474864 0.90 CA2 (0.47) CA2CA1CA9CA12MAPT
SCHEMBL10059697 0.90 SMN1; SMN2 (0.47) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL19942386 0.88 PLAU (0.36) CA2MAPTALDH1A1MEN1KMT2A
SCHEMBL17612683 0.87 NPC1 (0.44) CA2CA1CA9CA12MAPT
SCHEMBL16474863 0.87 EPHX2 (0.41) CA2MAPTALDH1A1KDM4EMEN1
SCHEMBL10059698 0.87 ALDH1A1 (0.46) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL10059725 0.87 MAPT (0.50) CA2CA1CA9CA12MAPT
SCHEMBL16474824 0.87 CA1 (0.50) CA2CA1CA9CA12MEN1
SCHEMBL21249142 0.86 POLB (0.44) MAPTALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290450-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2016-03-22 US disclosed
US-8969347-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. 2015-03-03 US disclosed
US-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2013-04-25 US disclosed
US-20120014917-A1 METHODS OF TREATING HIV PATIENTS WITH ANTI-FIBROTICS UNIVERSITY OF MINNESOTA (US) 2012-01-19 US disclosed
US-20110218515-A1 Methods for Treating Acute Myocardial Infarctions and Associated Disorders THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-09-08 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 (2 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-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS MAP3K8, MAP3K1, MAP3K6 CA2 4364/4885CA1 4695/4885CA9 4755/4885
US-20120014917-A1 METHODS OF TREATING HIV PATIENTS WITH ANTI-FIBROTICS MMP1, MMP8, CCL11 CA2 4060/4885CA1 4642/4885CA9 4123/4885

“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.