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SCHEMBL1862912

SCHEMBL1862912

Cc1ccc(S(=O)(=O)NC(CN(C)C(=O)OC(C)(C)C)CC2(F)CCCCC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 1/20 0.37
▸ TSHR P16473 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CA2 P00918 3/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ CA4 P22748 1/20 0.34
▸ F2 P00734 1/20 0.34
▸ HPN P05981 3/20 0.33
▸ PLAU P00749 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ SLC1A3 P43003 1/20 0.33
▸ SLC1A2 P43004 1/20 0.33
▸ SLC1A1 P43005 1/20 0.33

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
SCHEMBL1863476 0.90 MMP13 (0.38) MMP13TSHRHSD17B10HTTPOLB
SCHEMBL1867972 0.86 TSHR (0.39) MMP13TSHRHSD17B10HTTPOLB
SCHEMBL1863963 0.74 HSD17B10 (0.35) TSHRHSD17B10HTTPOLBKMT2A
SCHEMBL12631978 0.72 CA2 (0.41) TSHRHSD17B10HTTPOLBALDH1A1
SCHEMBL1862267 0.72 MMP13 (0.39) MMP13TSHRHSD17B10HTTMEN1
SCHEMBL1859843 0.71 CTSS (0.32) —
SCHEMBL1859845 0.71 CTSS (0.32) —
SCHEMBL1859841 0.71 CTSS (0.32) —
SCHEMBL30477024 0.69 ALDH1A1 (0.47) MMP13TSHRHSD17B10HTTKMT2A
SCHEMBL1863099 0.66 F2 (0.37) MMP13TSHRPOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455521-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-06-04 — — US disclosed
US-8455521-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-06-04 — — US disclosed
US-8455521-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-06-04 — — US disclosed
US-20110105506-A1 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. 2011-05-05 — — US disclosed
US-20110105506-A1 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. 2011-05-05 — — US disclosed
US-7754737-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2010-07-13 — — US disclosed
US-7754737-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2010-07-13 — — US disclosed
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors VITAE PHARMACEUTICAL, INC (US) 2009-01-15 — — US disclosed
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors VITAE PHARMACEUTICAL, INC (US) 2009-01-15 — — 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 (2 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-20110105506-A1 Diaminoalkane aspartic protease inhibitors DNPEP, PEPD, ACE MMP13 655/4885TSHR 4650/4885HSD17B10 1417/4885
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors DNPEP, PEPD, ACE MMP13 655/4885TSHR 4650/4885HSD17B10 1417/4885

“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.