SCHEMBL11259355

SCHEMBL11259355

CCC(C)CCc1nnc(N)s1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.54
ALDH1A1 P00352 3/20 0.53
GLS O94925 2/20 0.48
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.41
F2 P00734 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL14977352 0.85 POLB (0.52) POLBALDH1A1GLSATML3MBTL1
SCHEMBL11426727 0.82 POLB (0.57) POLBALDH1A1GLSATML3MBTL1
SCHEMBL10952699 0.79 POLB (0.53) POLBALDH1A1GLSATML3MBTL1
SCHEMBL7161882 0.76
SCHEMBL28432194 0.75 POLB (0.41) POLBALDH1A1GLSATMGAA
SCHEMBL1968819 0.74 ALDH1A1 (0.88) POLBALDH1A1GLSATML3MBTL1
Chloroform SCHEMBL28257214 0.73 ALDH1A1 (0.61) POLBALDH1A1GLSATML3MBTL1
Hydrochloric Acid SCHEMBL20475888 0.72 ALDH1A1 (0.85) POLBALDH1A1GLSATML3MBTL1
SCHEMBL11412602 0.71 ALDH1A1 (0.96) POLBALDH1A1GLSATML3MBTL1
SCHEMBL94109 0.71

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
US-10428061-B2 Autotaxin inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-10-01 US disclosed
EP-3253748-B1 AUTOTAXIN INHIBITORS CANCER RESEARCH TECH LTD (GB) 2019-04-17 EP disclosed
US-20180022742-A1 AUTOTAXIN INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-01-25 US disclosed
US-20180022742-A1 AUTOTAXIN INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-01-25 US disclosed
WO-2016124938-A1 AUTOTAXIN INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-08-11 WO disclosed
WO-2016124938-A1 AUTOTAXIN INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-08-11 WO disclosed
EP-0049071-A1 N-arylbenzamide derivatives ELI LILLY AND COMPANY (US) 1982-04-07 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-20180022742-A1 AUTOTAXIN INHIBITORS ENPP2, RNASE1, ATXN10 POLB 1170/4885ALDH1A1 4116/4885GLS 788/4885
US-10428061-B2 Autotaxin inhibitors ENPP2, ATXN10, RNASE1 POLB 1016/4885ALDH1A1 4227/4885GLS 832/4885

“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.