SCHEMBL373966

SCHEMBL373966

CS(=O)(=O)OCCC1(OC(=O)c2ccccc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
TDP1 Q9NUW8 3/20 0.38
TSHR P16473 4/20 0.38
F2 P00734 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 2/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL373645 0.86 TSHR (0.40) LMNATDP1TSHRF2MAPK1
SCHEMBL17319429 0.79 LMNA (0.50) LMNATDP1TSHRF2SMN1; SMN2
SCHEMBL374208 0.77 LMNA (0.44) LMNATDP1TSHRF2SMN1; SMN2
SCHEMBL17471537 0.74 LMNA (0.61) LMNATDP1TSHRSMN1; SMN2MAPK1
SCHEMBL374008 0.74 LMNA (0.47) LMNATDP1TSHRF2SMN1; SMN2
SCHEMBL28155395 0.72 LMNA (0.46) LMNATDP1TSHRF2SMN1; SMN2
SCHEMBL23957738 0.72 RECQL (0.45) TDP1KMT2AGAAALDH1A1
SCHEMBL17396691 0.72 TDP1 (0.71) LMNATDP1TSHRSMN1; SMN2MAPK1
SCHEMBL2749934 0.71 LMNA (0.56) LMNATDP1TSHRSMN1; SMN2MAPK1
SCHEMBL652811 0.70 LMNA (0.44) LMNATDP1TSHRF2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408300-B1 AMINO ESTER DERIVATIVES, SALTS THEREOF AND METHODS OF USE SUNSHINE LAKE PHARMA CO LTD (CN) 2016-05-11 EP disclosed
US-8232294-B2 Amino ester derivatives, sailts thereof and methods of use Xi, Ning (US) 2012-07-31 US disclosed
EP-2408300-A1 AMINO ESTER DERIVATIVES, SALTS THEREOF AND METHODS OF USE Sunshine Lake Pharma Co., Ltd (CN) 2012-01-25 EP disclosed
WO-2010111063-A1 AMINO ESTER DERIVATIVES, SALTS THEREOF AND METHODS OF USE XI NING (US) 2010-09-30 WO disclosed
US-20100239576-A1 AMINO ESTER DERIVATIVES, SAILTS THEREOF AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2010-09-23 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-20100239576-A1 AMINO ESTER DERIVATIVES, SAILTS THEREOF AND METHODS OF USE SRC, BCAT1, BCAT2 LMNA 2566/4885TDP1 2351/4885TSHR 4056/4885

“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.