SCHEMBL1669283

SCHEMBL1669283

CNC(=S)c1nc2n(c(=O)c1OCc1ccccc1)CCOC2(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.35
ALDH1A1 P00352 2/20 0.34
NAAA Q02083 1/20 0.33
FAAH O00519 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
ADAM17 P78536 1/20 0.33
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
EGFR P00533 1/20 0.32
MAPT P10636 1/20 0.32
MAPK14 Q16539 1/20 0.32
TSHR P16473 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
SCHEMBL1668806 0.90 GRM5 (0.37) GRM5ALDH1A1NAAAFAAHMMP2
SCHEMBL1672032 0.89 GRM5 (0.36) GRM5NAAAFAAHGAANPC1
SCHEMBL1170192 0.87 GRM5 (0.39) GRM5ALDH1A1NAAAFAAHMMP2
SCHEMBL1669133 0.86 GRM5 (0.37) GRM5ALDH1A1NAAAFAAHMMP2
SCHEMBL1669275 0.85 FAAH (0.39) GRM5NAAAFAAHMMP2MMP9
SCHEMBL12225697 0.83 MAP3K12 (0.31) ALDH1A1KMT2AMAPTLMNA
SCHEMBL1169780 0.83 HPGD (0.40) GRM5ALDH1A1MEN1KMT2AEGFR
SCHEMBL1169718 0.82 GRM5 (0.38) GRM5ALDH1A1NAAAFAAHNPC1
SCHEMBL4041061 0.82 F2 (0.37) GRM5ALDH1A1MMP2MMP9ADAM17
SCHEMBL1169632 0.79 METAP2 (0.40) GRM5ALDH1A1MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383639-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-26 US disclosed
US-8383639-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-26 US disclosed
EP-2488517-A1 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2012-08-22 EP disclosed
US-20110245241-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 US disclosed
US-20110245241-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 US disclosed
WO-2011046873-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-21 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-20110245241-A1 HIV Integrase Inhibitors DNTT, POLB, UNG GRM5 4666/4885ALDH1A1 539/4885NAAA 2336/4885

“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.