SCHEMBL819913

SCHEMBL819913

CCOC(=O)CC(C)SC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
ALDH1A1 P00352 7/20 0.41
TSHR P16473 3/20 0.41
ALOX15 P16050 3/20 0.41
CYP3A4 P08684 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSD17B10 Q99714 2/20 0.40
CHRM1 P11229 1/20 0.40
ADORA1 P30542 1/20 0.40
TRPA1 O75762 1/20 0.40
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL18700373 1.00 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL20352210 0.85 TSHR (0.38) ALDH1A1TSHRTDP1CHRM1LMNA
SCHEMBL18113059 0.84 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL18113057 0.82 MGAM (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL31065466 0.81 MGAM (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL18113184 0.81 MGAM (0.40) MGAMGAASIMGAM2ALDH1A1
SCHEMBL8500057 0.79 TSHR (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1131553 0.79 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3077876 0.79 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL8500054 0.79 TSHR (0.46) MGAMGAASIMGAM2ALDH1A1

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
EP-3355935-B1 PYRROLOBENZODIAZEPINE ANTIBODY DRUG CONJUGATES AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2020-10-21 EP disclosed
US-10011668-B2 Catalyst components for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2018-07-03 US disclosed
US-20180057622-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2018-03-01 US disclosed
US-8536364-B2 Method for producing sulfur-containing carboxylic acid esters TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-09-17 US disclosed
EP-2452933-A1 Method for producing sulfur-containing carboxylic acid esters Takasago International Corporation (JP) 2012-05-16 EP disclosed
US-20110282089-A1 METHOD FOR PRODUCING SULFUR-CONTAINING CARBOXYLIC ACID ESTERS TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-11-17 US disclosed
US-4454134-A INSECTICIDES, MITICIDES UNION CARBIDE CORPORATION (US) 1984-06-12 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-20110282089-A1 METHOD FOR PRODUCING SULFUR-CONTAINING CARBOXYLIC ACID ESTERS CBR3, ALDH18A1, TAS2R3 MGAM 2847/4885GAA 1742/4885SI 813/4885

“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.