SCHEMBL1995258

SCHEMBL1995258

C=CCC(C)(C)COC(=O)NC(C(=O)O)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33
MMP3 P08254 2/20 0.33
MAPT P10636 1/20 0.32
TSHR P16473 2/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
NFKB1 P19838 1/20 0.31
ADRA1A P35348 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA2 P00918 1/20 0.31
CTSK P43235 1/20 0.30

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
SCHEMBL730936 1.00 MMP1 (0.33) MMP1MMP2MMP3MAPTTSHR
SCHEMBL2051843 0.86 MMP1 (0.32) MMP1MMP2MMP3MAPT
SCHEMBL15896314 0.86 MMP1 (0.32) MMP1MMP2MMP3MAPTTSHR
SCHEMBL2051846 0.86 MMP1 (0.32) MMP1MMP2MMP3MAPT
SCHEMBL733066 0.86 TSHR (0.33) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL2046468 0.86 TSHR (0.33) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL3511394 0.84 TYR (0.38) MAPTTSHRLMNACYP3A4NFKB1
SCHEMBL13864479 0.82 TSHR (0.33) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL2049299 0.81 CASP1 (0.39) MAPT
SCHEMBL731986 0.81 CASP1 (0.39) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9120818-B2 Process and intermediates for preparing macrolactams MERCK SHARP & DOHME CORP. (US) 2015-09-01 US disclosed
US-9120818-B2 Process and intermediates for preparing macrolactams MERCK SHARP & DOHME CORP. (US) 2015-09-01 US disclosed
US-8563505-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-10-22 US disclosed
US-20130274463-A1 PROCESS AND INTERMEDIATES FOR PREPARING MACROLACTAMS MERCK SHARP & DOHME CORP. 2013-10-17 US disclosed
US-20130274463-A1 PROCESS AND INTERMEDIATES FOR PREPARING MACROLACTAMS MERCK SHARP & DOHME CORP. 2013-10-17 US disclosed
EP-2331552-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-02-27 EP disclosed
EP-2337784-B1 MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-01-16 EP disclosed
EP-2337784-A1 MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2011-06-29 EP disclosed
US-20100080771-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 US disclosed
WO-2010036871-A1 MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-01 WO disclosed
US-20100080770-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 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 (3 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-20130274463-A1 PROCESS AND INTERMEDIATES FOR PREPARING MACROLACTAMS EMG1, MRPS18B, MLN MMP1 1897/4885MMP2 658/4885MMP3 1437/4885
US-20100080771-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL MMP1 3650/4885MMP2 728/4885MMP3 2674/4885
US-20100080770-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL MMP1 3650/4885MMP2 728/4885MMP3 2674/4885

“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.