SCHEMBL373645

SCHEMBL373645

CS(=O)(=O)OCC1(OC(=O)c2ccccc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
LMNA P02545 3/20 0.38
F2 P00734 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
MAPK1 P28482 2/20 0.36
HIF1A Q16665 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 2/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA5 P30532 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 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
SCHEMBL373966 0.86 LMNA (0.40) TSHRLMNAF2TDP1MAPK1
SCHEMBL23957738 0.82 RECQL (0.45) TDP1KMT2AGAAALDH1A1POLB
SCHEMBL652811 0.78 LMNA (0.44) TSHRLMNAF2TDP1MAPK1
SCHEMBL374008 0.76 LMNA (0.47) TSHRLMNAF2TDP1MAPK1
SCHEMBL17319429 0.75 LMNA (0.50) TSHRLMNAF2TDP1MAPK1
SCHEMBL27433629 0.75 TSHR (0.44) TSHRLMNAF2TDP1MAPK1
SCHEMBL28938103 0.74 RAB9A (0.44) KMT2AGAACYP1A2NPC1RAB9A
SCHEMBL374095 0.74 KDM4E (0.32) TSHRLMNAALDH1A1
SCHEMBL374208 0.73 LMNA (0.44) TSHRLMNAF2TDP1MAPK1
SCHEMBL27441320 0.72 SMN1; SMN2 (0.43) TSHRLMNAF2MAPK1SLC6A2

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 TSHR 4056/4885LMNA 2566/4885F2 4709/4885

“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.