SCHEMBL8288608

SCHEMBL8288608

CC1(C)Cc2c(sc(NC(=O)Cc3ccccc3)c2C(=O)O)CO1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.71
ALDH1A1 P00352 5/20 0.71
MAPT P10636 5/20 0.71
MEN1 O00255 5/20 0.71
SMN1; SMN2 Q16637 4/20 0.71
NPC1 O15118 3/20 0.71
RAB9A P51151 3/20 0.71
KDM4E B2RXH2 1/20 0.71
RAB7A P51149 10/20 0.66
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
LMNA P02545 1/20 0.59
HPGD P15428 1/20 0.59
EPHB4 P54760 1/20 0.59
NOD2 Q9HC29 1/20 0.57
POLB P06746 1/20 0.57
NOD1 Q9Y239 1/20 0.56

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
SCHEMBL15272485 0.88 KDM4E (0.72) KMT2AALDH1A1MAPTMEN1SMN1; SMN2
SCHEMBL21247198 0.83 ALDH1A1 (1.00) KMT2AALDH1A1MAPTMEN1SMN1; SMN2
SCHEMBL15832879 0.80 RAB7A (0.76) KMT2AALDH1A1MAPTMEN1SMN1; SMN2
SCHEMBL15832859 0.80 RAB7A (1.00) KMT2AALDH1A1MAPTMEN1SMN1; SMN2
SCHEMBL15647854 0.78 RAB7A (1.00) KMT2AALDH1A1MAPTMEN1SMN1; SMN2
SCHEMBL21260779 0.77 ALDH1A1 (0.66) KMT2AALDH1A1MAPTMEN1SMN1; SMN2
SCHEMBL15832884 0.74 RAB7A (1.00) KMT2AALDH1A1MAPTMEN1SMN1; SMN2
SCHEMBL21247180 0.72 NOD1 (1.00) KMT2AALDH1A1MAPTMEN1SMN1; SMN2
SCHEMBL15832891 0.72 RAB7A (1.00) KMT2AALDH1A1MAPTMEN1SMN1; SMN2
SCHEMBL21260639 0.70 ANO1 (0.69) KMT2AALDH1A1MAPTMEN1SMN1; 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 7 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-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
US-20140248268-A1 Rab7 GTPase Inhibitors and Related Methods of Treatment THE REGENTS OF THE UNIVERSITY OF NEW MEXICO 2014-09-04 US disclosed
US-8765803-B1 Rab7 GTPase inhibitors and related methods of treatment STC.UNM (US) 2014-07-01 US disclosed
US-8765803-B1 Rab7 GTPase inhibitors and related methods of treatment STC.UNM (US) 2014-07-01 US disclosed
WO-2005033102-A2 THIOPHENE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-04-14 WO 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 KMT2A 4280/4885ALDH1A1 4235/4885MAPT 1628/4885

“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.