SCHEMBL2742871

SCHEMBL2742871

CC(C)(C)c1cccc(OCC2(CO)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOD1 P00441 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ FFAR1 O14842 3/20 0.40
▸ PPARG P37231 2/20 0.40
▸ PPARD Q03181 2/20 0.40
▸ GRM2 Q14416 1/20 0.39
▸ NUDT1 P36639 1/20 0.38
▸ NR4A1 P22736 1/20 0.37
▸ NR4A2 P43354 1/20 0.37
▸ NR4A3 Q92570 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ TRPA1 O75762 1/20 0.37
▸ TACR1 P25103 1/20 0.36
▸ HTR1A P08908 1/20 0.35

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
SCHEMBL12062257 0.85 SOD1 (0.44) SOD1LMNAPOLBHTTL3MBTL1
SCHEMBL16539797 0.85 KDM4E (0.48) LMNAHTTL3MBTL1NR4A2
SCHEMBL12062270 0.80 SOD1 (0.42) SOD1LMNAPOLBHTTL3MBTL1
SCHEMBL13165306 0.78 SOD1 (0.43) SOD1LMNAPOLBHTTL3MBTL1
SCHEMBL485746 0.77 SOD1 (0.53) SOD1LMNAPOLBHTTL3MBTL1
SCHEMBL16539362 0.77 WDR5 (0.47) LMNAHTT
SCHEMBL20216127 0.77 SOD1 (0.40) SOD1LMNAPOLBHTTL3MBTL1
SCHEMBL13165331 0.75 SOD1 (0.43) SOD1LMNAPOLBHTTL3MBTL1
SCHEMBL17339764 0.75 SOD1 (0.43) SOD1LMNAPOLBHTTL3MBTL1
SCHEMBL27621041 0.75 SOD1 (0.48) SOD1LMNAPOLBHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590930-B1 SPIROCYCLICALLY SUBSTITUTED 1,3-PROPANE DIOXIDE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENT SANOFI SA (FR) 2015-02-25 — — EP disclosed
US-8859494-B2 Spirocyclically substituted 1,3-propane dioxide derivatives, processes for preparation thereof and use thereof as a medicament SANOFI (FR) 2014-10-14 — — US disclosed
US-8859494-B2 Spirocyclically substituted 1,3-propane dioxide derivatives, processes for preparation thereof and use thereof as a medicament SANOFI (FR) 2014-10-14 — — US disclosed
WO-2012004270-A1 SPIROCYCLICALLY SUBSTITUTED 1,3-PROPANE DIOXIDE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENT SANOFI (FR) 2012-01-12 — — WO disclosed
US-20120004187-A1 SPIROCYCLICALLY SUBSTITUTED 1,3-PROPANE DIOXIDE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND USE THEREOF AS A MEDICAMENT SANOFI (FR) 2012-01-05 — — US disclosed
US-20120004187-A1 SPIROCYCLICALLY SUBSTITUTED 1,3-PROPANE DIOXIDE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND USE THEREOF AS A MEDICAMENT SANOFI (FR) 2012-01-05 — — 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 (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-20120004187-A1 SPIROCYCLICALLY SUBSTITUTED 1,3-PROPANE DIOXIDE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND USE THEREOF AS A MEDICAMENT REN, PKD1, AKR1C3 SOD1 3498/4885LMNA 1675/4885POLB 2891/4885

“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.

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