SCHEMBL4936946

SCHEMBL4936946

COc1ccc(S(=O)(=O)N(CCO)CCO)cc1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.77
▸ MMP1 P03956 2/20 0.72
▸ MMP7 P09237 2/20 0.72
▸ MMP8 P22894 2/20 0.72
▸ MMP12 P39900 2/20 0.72
▸ MMP13 P45452 2/20 0.72
▸ BMP1 P13497 6/20 0.56
▸ KEAP1 Q14145 2/20 0.55
▸ NFE2L2 Q16236 1/20 0.55
▸ TAS2R14 Q9NYV8 4/20 0.55
▸ MEP1B Q16820 1/20 0.55
▸ NPC1 O15118 2/20 0.54
▸ LMNA P02545 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ GAA P10253 1/20 0.51
▸ PTGES O14684 1/20 0.51
▸ TAS2R8 Q9NYW2 1/20 0.51
▸ CXCR3 P49682 1/20 0.51

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
SCHEMBL6324195 0.91 SMN1; SMN2 (0.65) SMN1; SMN2MMP1MMP7MMP8MMP12
SCHEMBL4928380 0.86 SMN1; SMN2 (0.58) SMN1; SMN2MMP1MMP7MMP8MMP12
SCHEMBL6321588 0.85 TAS2R14 (0.69) SMN1; SMN2MMP1MMP7MMP8MMP12
SCHEMBL13979922 0.85 CNR2 (0.61) SMN1; SMN2MMP1MMP7MMP8MMP12
SCHEMBL17230532 0.83 BMP1 (0.55) SMN1; SMN2MMP1MMP7MMP8MMP12
SCHEMBL3615482 0.83 BMP1 (0.55) SMN1; SMN2MMP1MMP7MMP8MMP12
SCHEMBL14229338 0.82 TAS2R14 (0.62) SMN1; SMN2MMP1MMP7MMP8MMP12
SCHEMBL4204765 0.80 LMNA (0.76) SMN1; SMN2MMP1MMP7MMP8MMP12
SCHEMBL218536 0.80 SMN1; SMN2 (0.68) SMN1; SMN2MMP1MMP7MMP8MMP12
SCHEMBL10385428 0.79 BMP1 (0.51) SMN1; SMN2MMP1MMP7MMP8MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070916-A1 Dihydropyrancarboxamides and uses thereof SCHREIBER STUART L 2008-03-20 — — US disclosed
US-20080070916-A1 Dihydropyrancarboxamides and uses thereof SCHREIBER STUART L 2008-03-20 — — US disclosed
US-20080070916-A1 Dihydropyrancarboxamides and uses thereof SCHREIBER STUART L 2008-03-20 — — US disclosed
US-7186709-B2 Subjecting a vinyl ethers and an unsaturated ketoester to suitable conditions to generate a scaffold having the core dihydropyrancarboxamide or dihydropyrancarboxylic ester or acid; anticarcinogenic agents PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-03-06 — — US disclosed
US-7186709-B2 Subjecting a vinyl ethers and an unsaturated ketoester to suitable conditions to generate a scaffold having the core dihydropyrancarboxamide or dihydropyrancarboxylic ester or acid; anticarcinogenic agents PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-03-06 — — US disclosed
US-7186709-B2 Subjecting a vinyl ethers and an unsaturated ketoester to suitable conditions to generate a scaffold having the core dihydropyrancarboxamide or dihydropyrancarboxylic ester or acid; anticarcinogenic agents PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-03-06 — — US disclosed
US-20040059138-A1 Dihydropyrancarboxamides and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2004-03-25 — — 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 (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-20040059138-A1 Dihydropyrancarboxamides and uses thereof CCNA1, DPYD, DHFR SMN1; SMN2 3326/4885MMP1 1699/4885MMP7 2476/4885
US-20080070916-A1 Dihydropyrancarboxamides and uses thereof CCNA1, DPYD, DHFR SMN1; SMN2 2510/4885MMP1 2095/4885MMP7 2573/4885

“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.

Send feedback