SCHEMBL18179898

SCHEMBL18179898

COc1cc(C)c(N(C)C(=O)[C@@H](N)Cc2ccccc2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.42
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
F2 P00734 1/20 0.41
OPRK1 P41145 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
CIT O14578 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
CTSD P07339 2/20 0.38

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
SCHEMBL18180331 0.83 PPARG (0.43) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL18179929 0.78 L3MBTL1 (0.45) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL16669867 0.74 CIT (0.52) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL16669866 0.74 CIT (0.52) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL30659096 0.74 CIT (0.52) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL18180135 0.74 CIT (0.52) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL16669849 0.73 ALPI (0.58) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL16669850 0.73 ALPI (0.58) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL7438290 0.72 SLC7A5 (0.56) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL7269254 0.72 SLC7A5 (0.56) SLC7A5ALPIPKMPTGS1XIAP

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-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 US disclosed
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 US disclosed
WO-2016172425-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE (NO.5) LIMITED (GB) 2016-10-27 WO disclosed
US-20150202335-A1 TARGETED MOLECULAR IMAGING PROBE AND METHOD FOR IN VIVO MOLECULAR IMAGING SHEN BAOZHONG (CN) 2015-07-23 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 (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-20150202335-A1 TARGETED MOLECULAR IMAGING PROBE AND METHOD FOR IN VIVO MOLECULAR IMAGING GJB2, GJA1, GAP43 SLC7A5 3274/4885ALPI 1315/4885PKM 2948/4885
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2H, POLR2E SLC7A5 1758/4885ALPI 1261/4885PKM 2179/4885

“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.