SCHEMBL22155665

SCHEMBL22155665

CC(C)(CO)Cn1nnc2ccc(Br)cc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.38
AMY1A P0DUB6 2/20 0.38
GAA P10253 2/20 0.38
SI P14410 2/20 0.38
MGAM2 Q2M2H8 2/20 0.38
RAB9A P51151 1/20 0.37
AR P10275 2/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
KMO O15229 1/20 0.35
TDO2 P48775 1/20 0.34
SLC9A1 P19634 2/20 0.34
PTK2 Q05397 4/20 0.33
ATM Q13315 1/20 0.33
XDH P47989 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL30699124 0.85 AR (0.40) MGAMAMY1AGAASIMGAM2
SCHEMBL27038551 0.85 AR (0.40) MGAMAMY1AGAASIMGAM2
SCHEMBL20529669 0.79 TDO2 (0.51) MGAMAMY1AGAASIMGAM2
SCHEMBL20529652 0.77 SLC9A1 (0.58) MGAMAMY1AGAASIMGAM2
SCHEMBL31473638 0.77 SLC9A1 (0.58) MGAMAMY1AGAASIMGAM2
SCHEMBL22153093 0.74 FDPS (0.44) RAB9AMAPTLMNA
SCHEMBL22122575 0.74 KMO (0.53) KMO
SCHEMBL31642496 0.74 SLC9A1 (0.60) MGAMAMY1AGAASIMGAM2
SCHEMBL26449157 0.74 AR (0.49) MGAMAMY1AGAASIMGAM2
SCHEMBL22122305 0.73 GALR3 (0.42) RAB9AALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. 2020-06-25 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-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF KRAS, NRAS, HRAS MGAM 3229/4885AMY1A 4033/4885GAA 3216/4885

“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.