SCHEMBL3677895

SCHEMBL3677895

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
SLC22A12 Q96S37 14/20 0.45
ALPL P05186 1/20 0.44
CYP2C9 P11712 2/20 0.43
SLC22A6 Q4U2R8 2/20 0.43
SLC22A8 Q8TCC7 2/20 0.43
SLC22A11 Q9NSA0 2/20 0.43
CYP3A4 P08684 1/20 0.43
CNR2 P34972 1/20 0.43
PTPN2 P17706 2/20 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
SCHEMBL4454510 0.82 MAPT (0.49) CA12CA1CA2CA3CA4
SCHEMBL20995717 0.76 CA9 (0.62) CA12CA1CA2CA3CA4
SCHEMBL3769130 0.75 SLC22A12 (0.70) SLC22A12CYP2C9SLC22A6SLC22A8SLC22A11
SCHEMBL9952627 0.74 ALPL (0.56) CA12CA1CA2CA3CA4
SCHEMBL9953252 0.74 PDGFRB (0.58) CA12CA1CA2CA3CA4
SCHEMBL15002390 0.74 CA1 (0.42) CA12CA1CA2CA3CA4
SCHEMBL31438923 0.74 CA1 (0.58) CA12CA1CA2CA3CA4
SCHEMBL31438921 0.74 CA1 (0.58) CA12CA1CA2CA3CA4
SCHEMBL16879294 0.73 CA1 (0.42) CA12CA1CA2CA3CA4
SCHEMBL1331630 0.73 CA1 (0.64) CA12CA1CA2CA3CA4

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-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
EP-2173722-A2 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS Novartis Ag (CH) 2010-04-14 EP disclosed
US-20090163463-A1 Organic Compounds NOVARTIS AG 2009-06-25 US disclosed
WO-2009013348-A2 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2009-01-29 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-20090163463-A1 Organic Compounds PIK3C3, PIK3CA, MTOR CA12 2016/4885CA1 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.