SCHEMBL4454510

SCHEMBL4454510

CC1(C)OB(c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)OC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
CA12 O43570 1/20 0.49
CA3 P07451 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
ALPL P05186 1/20 0.46
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43

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
SCHEMBL14775361 0.85 ALDH1A1 (0.57) MAPTCA1CA2CA9CA12
SCHEMBL15091914 0.85 CA1 (0.58) MAPTCA1CA2CA9CA12
SCHEMBL3677895 0.82 CA12 (0.46) CA1CA2CA9CA12CA3
SCHEMBL9952627 0.82 ALPL (0.56) CA1CA2CA9CA12CA3
SCHEMBL22944278 0.81 CA1 (0.51) CA1CA2CA9CA12CA3
SCHEMBL20995717 0.79 CA9 (0.62) CA1CA2CA9CA12CA3
SCHEMBL3638446 0.78 HSD17B10 (0.45) CA1CA2CA9CA12CA3
SCHEMBL1416514 0.78 CA1 (0.56) CA1CA2CA9CA12CA3
SCHEMBL9953252 0.77 PDGFRB (0.58) CA1CA2CA9CA12CA3
SCHEMBL24429425 0.76 ALDH1A1 (0.45) CA1CA2CA9CA12CA3

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-8263585-B2 Organic compounds NOVARTIS AG (CH) 2012-09-11 US disclosed
EP-2173722-B1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2012-08-29 EP disclosed
US-20090163463-A1 Organic Compounds NOVARTIS AG 2009-06-25 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-20090163463-A1 Organic Compounds PIK3C3, PIK3CA, MTOR MAPT 1010/4885CA1 2097/4885CA2 174/4885

“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.