SCHEMBL3142592

SCHEMBL3142592

CC1(CNC(=O)OCc2ccccc2)CC1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 4/20 0.41
CYP3A4 P08684 9/20 0.41
TSHR P16473 8/20 0.41
CASP1 P29466 1/20 0.41
CYP2C9 P11712 5/20 0.40
CYP2C19 P33261 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 2/20 0.40
KDM1A O60341 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
FUCA1 P04066 1/20 0.40
CYP1A2 P05177 2/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39

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
SCHEMBL3142599 0.77 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL31644552 0.75 CPB1 (0.46) ALDH1A1SMN1; SMN2TSHRKDM1ARCOR1
SCHEMBL5724218 0.75 SMN1; SMN2 (0.60) SMN1; SMN2LMNAHTTMAPK1CTSL
SCHEMBL30398163 0.73 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TSHRCTSLCTSB
SCHEMBL5723900 0.73 SMN1; SMN2 (0.47) SMN1; SMN2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL28897095 0.72 CPB1 (0.48) ALDH1A1SMN1; SMN2LMNATSHRKDM1A
SCHEMBL29483860 0.72 CPB1 (0.46) ALDH1A1SMN1; SMN2LMNATSHRKDM1A
SCHEMBL30233895 0.72 CPB1 (0.48) ALDH1A1SMN1; SMN2LMNATSHRKDM1A
SCHEMBL30986458 0.72 ALDH1A1 (0.44) ALDH1A1TSHRMEN1KMT2ACTSL
SCHEMBL30986490 0.72 ALDH1A1 (0.44) ALDH1A1TSHRMEN1KMT2ACTSL

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-7723319-B2 Acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2010-05-25 US disclosed
US-20100004440-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same CHO DONG-GYU 2010-01-07 US disclosed
US-7605147-B2 Acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2009-10-20 US disclosed
US-7157448-B2 Acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2007-01-02 US disclosed
US-20060293284-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same CHO DONG-GYU 2006-12-28 US disclosed
US-20060052346-A1 Nucleoside phosphonate derivatives useful in the treatment of HIV infections LG LIFE SCIENCES LTD. (KR) 2006-03-09 US disclosed
US-20040063668-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2004-04-01 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 (4 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-20060052346-A1 Nucleoside phosphonate derivatives useful in the treatment of HIV infections PNP, TYMP, ENTPD5 ALDH1A1 1512/4885SMN1; SMN2 3295/4885LMNA 3728/4885
US-20100004440-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP ALDH1A1 2937/4885SMN1; SMN2 3377/4885LMNA 3013/4885
US-20060293284-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP ALDH1A1 2937/4885SMN1; SMN2 3377/4885LMNA 3013/4885
US-20040063668-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP ALDH1A1 2937/4885SMN1; SMN2 3377/4885LMNA 3013/4885

“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.