SCHEMBL4350186

SCHEMBL4350186

COC(=O)c1ccc2c(c1)OCC[C@@H]2O[Si](C)(C)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
KDM4E B2RXH2 8/20 0.36
ALDH1A1 P00352 6/20 0.36
MAPT P10636 4/20 0.36
MEN1 O00255 2/20 0.36
TP53 P04637 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 3/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 3/20 0.36
TRPA1 O75762 1/20 0.36
GLA P06280 2/20 0.35
HSD17B10 Q99714 2/20 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
SCHEMBL4350183 1.00 SMN1; SMN2 (0.36) SMN1; SMN2NPC1RAB9ACASP3SENP7
SCHEMBL31372083 0.79 HTR1A (0.42) NPC1RAB9AALDH1A1MAPTMAPK1
SCHEMBL14029670 0.79 CHRNB2 (0.39) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL22473503 0.79 ADRA2A (0.40) ALDH1A1MAPTGAATSHRHSD17B10
SCHEMBL20449129 0.78 ADRA2A (0.47) MAPTLMNACA12CA1CA9
SCHEMBL20449128 0.78 ADRA2A (0.47) MAPTLMNACA12CA1CA9
SCHEMBL4336961 0.77 MAP3K14 (0.54) SMN1; SMN2NPC1RAB9ACASP3SENP7
SCHEMBL4336968 0.77 MAP3K14 (0.54) SMN1; SMN2NPC1RAB9ACASP3SENP7
SCHEMBL28332237 0.77 MAP3K14 (0.54) SMN1; SMN2NPC1RAB9ACASP3SENP7
SCHEMBL13614278 0.77 PDCD1 (0.34)

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-7612060-B2 Triazoles and methods of use AMGEN INC. (US) 2009-11-03 US disclosed
US-7612060-B2 Triazoles and methods of use AMGEN INC. (US) 2009-11-03 US disclosed
US-20080249106-A1 3-(1-((R)-7-((4-fluoropiperidin-1-yl)methyl)-3,4-dihydro-2H-chromen-4-yl)-1H-1,2,3-triazol-4-yl)-2-(4-methylphenylsulfonamido)propanoic acid; chronic pain analgesics; side effect reduction AMGEN INC. 2008-10-09 US disclosed
US-7414134-B2 B1 bradykinin receptor antagonists AMGEN INC. (US) 2008-08-19 US disclosed
US-7414134-B2 B1 bradykinin receptor antagonists AMGEN INC. (US) 2008-08-19 US disclosed
US-20060100213-A1 Triazoles and methods of use AMGEN INC. (US) 2006-05-11 US disclosed
US-20060100216-A1 Novel B1 bradykinin receptor antagonists AMGEN INC. (US) 2006-05-11 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-20060100213-A1 Triazoles and methods of use CYP3A5, CYP3A43, CYP2E1 SMN1; SMN2 2582/4885NPC1 734/4885RAB9A 3430/4885
US-20080249106-A1 3-(1-((R)-7-((4-fluoropiperidin-1-yl)methyl)-3,4-dihydro-2H-chromen-4-yl)-1H-1,2,3-triazol-4-yl)-2-(4-methylphenylsulfonamido)propanoic acid; chronic pain analgesics; side effect reduction BDKRB1, BDKRB2, FPR1 SMN1; SMN2 2002/4885NPC1 1392/4885RAB9A 3094/4885
US-20060100216-A1 Novel B1 bradykinin receptor antagonists BDKRB1, BDKRB2, EDNRB SMN1; SMN2 2201/4885NPC1 614/4885RAB9A 2223/4885

“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.