SCHEMBL15077182

SCHEMBL15077182

COC(=O)c1ccc(C(C)(C)C)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.55
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA12 O43570 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
XDH P47989 2/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 5/20 0.45
MAPT P10636 4/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
GAA P10253 2/20 0.45
GLA P06280 1/20 0.45
CASP1 P29466 1/20 0.45

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
SCHEMBL18284422 0.88 NOTUM (0.58) NOTUMCA1CA2CA12CA7
SCHEMBL3830811 0.86 NOTUM (0.69) NOTUMCA1CA2CA12CA7
SCHEMBL20043300 0.86 NOTUM (0.51) NOTUMCA1CA2CA12CA7
SCHEMBL12490655 0.84 NOTUM (0.54) NOTUMCA1CA2CA12CA7
SCHEMBL13440125 0.84 NOTUM (0.56) NOTUMCA1CA2CA12CA7
SCHEMBL5355256 0.83 NOTUM (0.56) NOTUMCA1CA2CA12CA7
SCHEMBL15077180 0.81 NOTUM (0.53) NOTUMCA1CA2CA12CA7
SCHEMBL3372362 0.81 CA1 (0.65) NOTUMCA1CA2CA12CA7
SCHEMBL8658786 0.81 KDM4E (0.54) NOTUMCA1CA2CA12CA7
SCHEMBL1367395 0.81 NOTUM (0.47) NOTUMCA1CA2CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150218175-A1 THIADIAZOLE ANALOGS THEREOF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED-CONDITIONS NOVARTIS AG (CH) 2015-08-06 US disclosed
US-9040712-B2 Thiadiazole analogs thereof and methods for treating SMN-deficiency-related-conditions NOVARTIS AG (CH) 2015-05-26 US disclosed
US-20140206661-A1 THIADIAZOLE ANALOGS THEREOF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED-CONDITIONS NOVARTIS AG (CH) 2014-07-24 US disclosed
US-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 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 (3 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-20130165440-A1 JAK1 Inhibitors JAK1, JAK2, JAK3 NOTUM 4707/4885CA1 4785/4885CA2 3925/4885
US-20150218175-A1 THIADIAZOLE ANALOGS THEREOF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED-CONDITIONS SMN1; SMN2, SF3B5, SF3B1 NOTUM 3645/4885CA1 4810/4885CA2 4373/4885
US-20140206661-A1 THIADIAZOLE ANALOGS THEREOF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED-CONDITIONS SMN1; SMN2, SF3B5, SF3B1 NOTUM 3645/4885CA1 4810/4885CA2 4373/4885

“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.