SCHEMBL2232499

SCHEMBL2232499

O=[C]c1cc2ccccc2sc1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 4/20 0.51
CA2 P00918 4/20 0.51
CA12 O43570 3/20 0.51
CA1 P00915 3/20 0.51
CA4 P22748 1/20 0.51
CA5A P35218 1/20 0.51
CA7 P43166 1/20 0.51
CA14 Q9ULX7 1/20 0.51
CA5B Q9Y2D0 1/20 0.51
CYP2A6 P11509 4/20 0.44
BCL2L1 Q07817 1/20 0.43
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 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
SCHEMBL56334 0.74 CYP2A6 (0.48) CA9CA2CA12CA1CA4
SCHEMBL1538456 0.72 CA2 (0.59) CA9CA2CA12CA1CA4
SCHEMBL5713372 0.72 CA9 (0.55) CA9CA2CA12CA1CA4
SCHEMBL11542686 0.71 CA1 (0.46) CA9CA2CA1CA7CYP2A6
SCHEMBL5672294 0.69 CA12 (0.51) CA9CA2CA12CA1CA4
SCHEMBL1366682 0.69 CA12 (0.77) CA9CA2CA12CA1CA4
SCHEMBL2232502 0.69 CYP2A6 (0.58) CA9CA2CA12CA1CA4
SCHEMBL22590868 0.69 CA9 (0.56) CA9CA2CA12CA1CA4
SCHEMBL829564 0.69 CA9 (0.51) CA9CA2CA12CA1CA4
SCHEMBL7679158 0.68 CA12 (1.00) CA9CA2CA12CA1CA4

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
US-20110263642-A1 METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS FIBROGEN, INC. (US) 2011-10-27 US disclosed
EP-2341904-A1 METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS Fibrogen, Inc. (US) 2011-07-13 EP disclosed
WO-2010024908-A1 METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS FIBROGEN, INC. (US) 2010-03-04 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-20110263642-A1 METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS PMP22, MAG, NEFM CA9 2529/4885CA2 816/4885CA12 821/4885

“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.