SCHEMBL755814

SCHEMBL755814

CC(=O)O[CH]C(COC(C)=O)OC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 3/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.34
CHRM1 P11229 3/20 0.34
CHRM5 P08912 2/20 0.34
CHRM3 P20309 2/20 0.34
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
TBXA2R P21731 2/20 0.34
PGR P06401 1/20 0.34
HTR1A P08908 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRNA10 Q9GZZ6 1/20 0.34

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
SCHEMBL10424863 0.81 TSHR (0.37) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL8773335 0.80 TDP1 (0.44) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL8723278 0.79 TDP1 (0.56) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL28933210 0.79 TDP1 (0.43) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL10525928 0.78 TDP1 (0.50) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL93558 0.77 TDP1 (0.48) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL93559 0.77 TDP1 (0.48) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL27264760 0.77 TDP1 (0.48) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL10948262 0.75 TDP1 (0.47) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL10948272 0.75 TDP1 (0.47) TDP1TSHRALDH1A1LMNAHSD17B10

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1454903-B9 Thiadiazoline derivatives for treating cancer KYOWA HAKKO KIRIN CO LTD (JP) 2011-10-05 EP claimed
EP-1454903-B1 Thiadiazoline derivatives for treating cancer KYOWA HAKKO KIRIN CO LTD (JP) 2010-09-08 EP claimed
US-20080207706-A1 THIADIAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD (JP) 2008-08-28 US claimed
US-20060074113-A1 Thiadiazoline derivative KYOWA KIRIN CO., LTD. (JP) 2006-04-06 US claimed
EP-1454903-A1 THIADIAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-08 EP claimed
EP-0435059-B1 Retroviral protease inhibitors HOECHST AG (DE) 1997-11-05 EP claimed
US-5663139-A VIRICIDE OLIGOPEPTIDES HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-02 US claimed
EP-0649426-A1 INHIBITORS OF RETROVIRAL PROTEASES HOECHST AKTIENGESELLSCHAFT (DE) 1995-04-26 EP claimed
WO-1994000461-A1 INHIBITORS OF RETROVIRAL PROTEASES HOECHST AKTIENGESELLSCHAFT (DE) 1994-01-06 WO claimed
EP-0435059-A1 Retroviral protease inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1991-07-03 EP claimed
EP-0428849-A2 Retroviral protease inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-29 EP claimed
EP-1847534-B9 Thiadiazoline derivatives for treating cancer KYOWA HAKKO KIRIN CO LTD (JP) 2012-03-21 EP disclosed
EP-1454903-B9 Thiadiazoline derivatives for treating cancer KYOWA HAKKO KIRIN CO LTD (JP) 2011-10-05 EP disclosed
EP-1847534-B1 Thiadiazoline derivatives for treating cancer KYOWA HAKKO KIRIN CO LTD (JP) 2011-06-22 EP disclosed
US-7902234-B2 Thiadiazoline derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-03-08 US disclosed
US-5629431-A Inhibitors of retroviral proteases HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-13 US disclosed
EP-0649426-A1 INHIBITORS OF RETROVIRAL PROTEASES HOECHST AKTIENGESELLSCHAFT (DE) 1995-04-26 EP disclosed
WO-1994000461-A1 INHIBITORS OF RETROVIRAL PROTEASES HOECHST AKTIENGESELLSCHAFT (DE) 1994-01-06 WO disclosed
EP-0435059-A1 Retroviral protease inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1991-07-03 EP disclosed
EP-0428849-A2 Retroviral protease inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-29 EP 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-20060074113-A1 Thiadiazoline derivative BRWD1, RB1, ARG2 TDP1 1546/4885TSHR 176/4885ALDH1A1 343/4885
US-20080207706-A1 THIADIAZOLINE DERIVATIVE BRWD1, RB1, ARG2 TDP1 1546/4885TSHR 176/4885ALDH1A1 343/4885

“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.