SCHEMBL18501697

SCHEMBL18501697

CC(C)(C)C(=O)C1CCCN(C(C)(C)C)C1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.34
ALDH1A1 P00352 5/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.32
CA12 O43570 4/20 0.32
CA1 P00915 4/20 0.32
CA2 P00918 4/20 0.32
CA9 Q16790 4/20 0.32
TSHR P16473 3/20 0.32
RIPK1 Q13546 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPK1 P28482 1/20 0.30
BCHE P06276 1/20 0.30
DPP4 P27487 1/20 0.30

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
SCHEMBL25144026 0.89 ATM (0.36) ATMSMN1; SMN2
SCHEMBL18501698 0.89 ATM (0.36) ATMSMN1; SMN2
SCHEMBL25144018 0.89 ATM (0.36) ATMSMN1; SMN2
SCHEMBL12102748 0.83 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL21042943 0.83 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4971987 0.83 ALDH1A1 (0.36) ATMALDH1A1MEN1KMT2AMAPT
SCHEMBL11923163 0.83 ALDH1A1 (0.36) ATMALDH1A1MEN1KMT2AMAPT
SCHEMBL2606791 0.83 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8258796 0.81 ALDH1A1 (0.46) ATMALDH1A1KMT2AMAPTGAA
Hydrochloric Acid SCHEMBL21612902 0.81 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809602-B2 Compounds for treating viral infections INSTITUT PASTEUR KOREA (KR) 2017-11-07 US disclosed
US-9809602-B2 Compounds for treating viral infections INSTITUT PASTEUR KOREA (KR) 2017-11-07 US disclosed
US-20170044181-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS INSTITUT PASTEUR KOREA (KR) 2017-02-16 US disclosed
US-20170044181-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS INSTITUT PASTEUR KOREA (KR) 2017-02-16 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-20170044181-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS HAVCR2, MAVS, EIF2AK2 ATM 4209/4885ALDH1A1 676/4885MEN1 4484/4885

“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.