SCHEMBL2811981

SCHEMBL2811981

COC(=O)CCCCCCCCCCCC1(S(N)(=O)=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CA12 O43570 6/20 0.40
CA14 Q9ULX7 6/20 0.40
CA2 P00918 4/20 0.40
CA7 P43166 4/20 0.40
CA9 Q16790 4/20 0.40
CA1 P00915 3/20 0.40
CA3 P07451 3/20 0.40
CA4 P22748 3/20 0.40
CA6 P23280 3/20 0.40
CA5A P35218 3/20 0.40
CA13 Q8N1Q1 3/20 0.40
CA5B Q9Y2D0 3/20 0.40
KMT2A Q03164 2/20 0.39
EPHX2 P34913 4/20 0.38
POLB P06746 1/20 0.35
POLA1 P09884 1/20 0.35
MEN1 O00255 1/20 0.34

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
SCHEMBL26611327 0.72 TSHR (0.54) TSHRLMNAALDH1A1CA12CA14
SCHEMBL26611174 0.72 TSHR (0.54) TSHRLMNAALDH1A1CA12CA14
SCHEMBL26611184 0.72 TSHR (0.54) TSHRLMNAALDH1A1CA12CA14
SCHEMBL26611365 0.72 TSHR (0.54) TSHRLMNAALDH1A1CA12CA14
SCHEMBL3503395 0.72 TSHR (0.82) TSHRLMNAALDH1A1CA12CA14
SCHEMBL3502791 0.72 TSHR (0.82) TSHRLMNAALDH1A1CA12CA14
SCHEMBL494114 0.72 TSHR (0.82) TSHRLMNAALDH1A1CA12CA14
SCHEMBL494299 0.72 TSHR (0.82) TSHRLMNAALDH1A1CA12CA14
SCHEMBL1286873 0.72 TSHR (0.82) TSHRLMNAALDH1A1CA12CA14
SCHEMBL3504568 0.72 TSHR (0.82) TSHRLMNAALDH1A1CA12CA14

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-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 US disclosed
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 US disclosed
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 US disclosed
EP-2125757-A1 MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS Novartis AG (CH) 2009-12-02 EP disclosed
WO-2008101665-A1 MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS NOVARTIS AG (CH) 2008-08-28 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-20100240638-A1 Organic Compounds and their uses OAT, HAVCR2, CYP3A43 TSHR 4756/4885LMNA 3516/4885ALDH1A1 302/4885

“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.