SCHEMBL4589846

SCHEMBL4589846

COC(=O)CCSC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.55
HSD17B10 Q99714 2/20 0.44
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
BLM P54132 1/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 3/20 0.40
CA12 O43570 1/20 0.40
CA14 Q9ULX7 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 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
Formamide SCHEMBL11493762 0.90 TSHR (0.44) TSHRHSD17B10MGAMGAASI
SCHEMBL22500800 0.86 TSHR (0.58) TSHRMGAMGAASIMGAM2
SCHEMBL10353009 0.85 TSHR (0.56) TSHRMGAMGAASIMGAM2
SCHEMBL3490443 0.83 ALDH1A1 (0.46) TSHRCYP2C19POLBBLMATM
SCHEMBL28547678 0.83 TSHR (0.54) TSHRMGAMGAASIMGAM2
SCHEMBL8427111 0.83 TSHR (0.54) TSHRMGAMGAASIMGAM2
SCHEMBL9509274 0.81 TSHR (0.55) TSHRHSD17B10MGAMGAASI
SCHEMBL17072460 0.80 TSHR (0.41) TSHRHSD17B10MGAMGAASI
SCHEMBL8417277 0.79 TSHR (0.52) TSHRHSD17B10MGAMGAASI
SCHEMBL15743418 0.78 TSHR (0.39) TSHRHSD17B10MGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9579404-B2 Lanthanoid complex capsule and particle contrast agents, methods of making and using thereof NEW YORK UNIVERSITY (US) 2017-02-28 US disclosed
US-20150071863-A1 LANTHANOID COMPLEX CAPSULE AND PARTICLE CONTRAST AGENTS, METHODS OF MAKING AND USING THEREOF UNIV NEW YORK (US) 2015-03-12 US disclosed
US-8865129-B2 Lanthanoid complex capsule and particle contrast agents, methods of making and using thereof NEW YORK UNIVERSITY (US) 2014-10-21 US disclosed
US-20120294809-A1 LANTHANOID COMPLEX CAPSULE AND PARTICLE CONTRAST AGENTS, METHODS OF MAKING AND USING THEREOF NEW YORK UNIVERSITY (US) 2012-11-22 US disclosed
EP-1937656-A1 7-(2-AMINO-1-HYDROXY-ETHYL)-4-HYDROXYBENZOTHIAZOL-2(3H)-ONE-DERIVATIVES AS BETA 2 ADRENOCEPTOR AGONISTS AstraZeneca AB (SE) 2008-07-02 EP disclosed
WO-2007027134-A1 7-(2-AMINO-1-HYDROXY-ETHYL)-4-HYDROXYBENZOTHIAZOL-2(3H)-ONE-DERIVATIVES AS β2 ADRENOCEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-03-08 WO 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 (2 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-20150071863-A1 LANTHANOID COMPLEX CAPSULE AND PARTICLE CONTRAST AGENTS, METHODS OF MAKING AND USING THEREOF LIPA, LPXN, LIPC TSHR 579/4885HSD17B10 2160/4885MGAM 1583/4885
US-20120294809-A1 LANTHANOID COMPLEX CAPSULE AND PARTICLE CONTRAST AGENTS, METHODS OF MAKING AND USING THEREOF LIPA, LPXN, LIPC TSHR 579/4885HSD17B10 2160/4885MGAM 1583/4885

“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.