SCHEMBL16670762

SCHEMBL16670762

COc1cc(N(C)C(=O)C(Cc2ccccc2)NC(=O)O)cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 3/20 0.46
ALOX15 P16050 1/20 0.46
PYGL P06737 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP14 P50281 1/20 0.45
FPR2 P25090 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM1A O60341 1/20 0.45
MAOA P21397 1/20 0.45
CTSG P08311 1/20 0.44
CMA1 P23946 1/20 0.44
POLB P06746 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.43
LPAR1 Q92633 1/20 0.43

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
SCHEMBL16681984 0.87 ACE (0.52) MEN1KMT2AKDM1AMAOA
SCHEMBL20427698 0.87 ACE (0.52) MEN1KMT2AKDM1AMAOA
SCHEMBL16670186 0.84 FPR2 (0.53) NPC1ALDH1A1ALOX15PYGLMMP9
SCHEMBL16669864 0.84 MMP1 (0.46) NPC1ALDH1A1ALOX15MMP9MMP8
SCHEMBL16669863 0.84 MMP1 (0.46) NPC1ALDH1A1ALOX15MMP9MMP8
SCHEMBL16669832 0.82 MMP9 (0.56) NPC1ALDH1A1PYGLMMP9MMP8
SCHEMBL18179929 0.82 L3MBTL1 (0.45) ALDH1A1
SCHEMBL18180128 0.81 ALDH1A1 (0.46) NPC1ALDH1A1ALOX15PYGLFPR2
SCHEMBL19969228 0.81 ALDH1A1 (0.45) NPC1ALDH1A1ALOX15PYGLMMP9
SCHEMBL18180274 0.81 ALDH1A1 (0.45) NPC1ALDH1A1ALOX15PYGLMMP9

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-10035760-B2 Inhibitors of human immunodeficiency virus replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2018-07-31 US disclosed
US-20160257645-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2016-09-08 US disclosed
EP-3060554-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION Bristol-Myers Squibb Company (US) 2016-08-31 EP disclosed
WO-2015061518-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-30 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 (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-20160257645-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR1E, POLR1G NPC1 260/4885ALDH1A1 3247/4885ALOX15 3427/4885
US-10035760-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR1G, POLR1E NPC1 290/4885ALDH1A1 3035/4885ALOX15 2934/4885

“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.