SCHEMBL16002160

SCHEMBL16002160

COc1cccc(C(=O)NC(=S)Nc2sc3c(c2C(=O)O)CC(OC)(OC)OC3)c1

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB7A P51149 18/20 0.83
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
ALDH1A1 P00352 2/20 0.64
MAPT P10636 2/20 0.64
PLA2G1B P04054 1/20 0.64
GAA P10253 1/20 0.64
CDC42 P60953 1/20 0.64
RAB2A P61019 1/20 0.64
ATG4B Q9Y4P1 1/20 0.64
NOD1 Q9Y239 1/20 0.54
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL15832889 0.91 RAB7A (1.00) RAB7AMEN1KMT2AALDH1A1MAPT
SCHEMBL16002213 0.90 RAB7A (0.82) RAB7AMEN1KMT2AALDH1A1MAPT
SCHEMBL16002090 0.84 RAB7A (0.78) RAB7AMEN1KMT2AALDH1A1MAPT
SCHEMBL16002185 0.81 RAB7A (0.79) RAB7AMEN1KMT2AALDH1A1MAPT
SCHEMBL15832861 0.80 RAB7A (0.81) RAB7AMEN1KMT2AALDH1A1MAPT
SCHEMBL15832866 0.80 RAB7A (1.00) RAB7AMEN1KMT2AALDH1A1MAPT
SCHEMBL15832862 0.79 RAB7A (0.70) RAB7AMEN1KMT2AALDH1A1MAPT
SCHEMBL15647854 0.78 RAB7A (1.00) RAB7AMEN1KMT2AALDH1A1MAPT
SCHEMBL15832860 0.74 RAB7A (0.84) RAB7AMEN1KMT2AALDH1A1MAPT
SCHEMBL15832891 0.72 RAB7A (1.00) RAB7AMEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376452-B2 Rab7 GTPase inhibitors and related methods of treatment ST. UNM (US) 2016-06-28 US disclosed
US-20140248268-A1 Rab7 GTPase Inhibitors and Related Methods of Treatment THE REGENTS OF THE UNIVERSITY OF NEW MEXICO 2014-09-04 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-20140248268-A1 Rab7 GTPase Inhibitors and Related Methods of Treatment RAB7A, RAB5B, RAB1A RAB7A 1/4885MEN1 2441/4885KMT2A 4280/4885

“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.