SCHEMBL6841175

SCHEMBL6841175

C[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.58
ELANE P08246 2/20 0.58
CTSK P43235 5/20 0.56
SYK P43405 1/20 0.55
CTRB1 P17538 2/20 0.55
CTSS P25774 6/20 0.54
CTSL P07711 5/20 0.54
CTSB P07858 4/20 0.54
PRTN3 P24158 1/20 0.54
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL12493735 0.88 CTSK (0.56) ATMELANECTSKSYKCTRB1
SCHEMBL12493740 0.88 CTSK (0.56) ATMELANECTSKSYKCTRB1
SCHEMBL12442117 0.86 CTRB1 (0.57) ATMELANECTSKSYKCTRB1
SCHEMBL25465074 0.86 CTRB1 (0.57) ATMELANECTSKSYKCTRB1
SCHEMBL13201865 0.86 SYK (0.56) ATMELANECTSKSYKCTRB1
SCHEMBL12493219 0.85 SYK (0.54) ATMELANECTSKSYKCTRB1
SCHEMBL12493217 0.85 SYK (0.54) ATMELANECTSKSYKCTRB1
SCHEMBL12682126 0.85 ATM (0.53) ATMELANECTSKSYKCTRB1
SCHEMBL12682187 0.84 CTSS (0.59) ATMCTSKCTSSCTSLCTSB
SCHEMBL14704026 0.84 ATM (0.61) ATMELANECTSKCTRB1CTSS

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-8871904-B2 Processes and intermediates VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-28 US disclosed
US-20140107318-A1 PROCESSES AND INTERMEDIATES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-04-17 US disclosed
US-8637457-B2 Processes and intermediates VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-28 US disclosed
US-20130172276-A1 PROCESSES AND INTERMEDIATES VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-04 US disclosed
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2013-01-24 US disclosed
US-8193227-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2012-06-05 US disclosed
US-20110003827-A1 HIV protease inhibiting compounds ABBVIE INC. 2011-01-06 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 (4 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-20110003827-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP ATM 4055/4885ELANE 80/4885CTSK 76/4885
US-20130172276-A1 PROCESSES AND INTERMEDIATES TFPI, SPINT2, SERPINB1 ATM 3148/4885ELANE 123/4885CTSK 91/4885
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS SERPINB1, HPN, DNPEP ATM 4055/4885ELANE 80/4885CTSK 76/4885
US-20140107318-A1 PROCESSES AND INTERMEDIATES TFPI, SPINT2, SERPINB1 ATM 3148/4885ELANE 123/4885CTSK 91/4885

“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.