SCHEMBL3045972

SCHEMBL3045972

CCC[C@H](N)[C@@H](O)C(=O)NC1CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.43
METAP1 P53582 3/20 0.41
METAP2 P50579 9/20 0.40
LMNA P02545 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
MME P08473 1/20 0.36
ANPEP P15144 1/20 0.36
DNPEP Q9ULA0 1/20 0.36
GPR88 Q9GZN0 1/20 0.35

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
SCHEMBL329193 1.00 SMYD3 (0.43) SMYD3METAP1METAP2LMNABLM
SCHEMBL328991 1.00 SMYD3 (0.43) SMYD3METAP1METAP2LMNABLM
SCHEMBL13058644 1.00 SMYD3 (0.43) SMYD3METAP1METAP2LMNABLM
SCHEMBL2331995 1.00 SMYD3 (0.43) SMYD3METAP1METAP2LMNABLM
SCHEMBL13201892 1.00 SMYD3 (0.43) SMYD3METAP1METAP2LMNABLM
SCHEMBL329101 1.00 SMYD3 (0.43) SMYD3METAP1METAP2LMNABLM
Hydrochloric Acid SCHEMBL4205427 0.98 SMYD3 (0.42) SMYD3METAP1METAP2LMNABLM
Hydrochloric Acid SCHEMBL329085 0.98 SMYD3 (0.42) SMYD3METAP1METAP2LMNABLM
Hydrochloric Acid SCHEMBL329165 0.98 SMYD3 (0.42) SMYD3METAP1METAP2LMNABLM
Hydrochloric Acid SCHEMBL29618100 0.98 SMYD3 (0.42) SMYD3METAP1METAP2LMNABLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150038677-A1 PROCESS FOR THE SYNTHESIS OF TELAPREVIR, OR PHARMACEUTICALLY ACCEPTABLE SALTS OR SOLVATES AS WELL AS INTERMEDIATE PRODUCTS THEREOF SANDOZ AG (CH) 2015-02-05 US disclosed
US-8871904-B2 Processes and intermediates VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-28 US disclosed
US-8871904-B2 Processes and intermediates VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-28 US disclosed
US-8871904-B2 Processes and intermediates VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-28 US disclosed
US-8575208-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 US disclosed
US-20130172276-A1 PROCESSES AND INTERMEDIATES VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-04 US disclosed
US-20130172276-A1 PROCESSES AND INTERMEDIATES VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-04 US disclosed
US-20130172276-A1 PROCESSES AND INTERMEDIATES VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-04 US disclosed
US-8399615-B2 Processes and intermediates VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-19 US disclosed
US-8399615-B2 Processes and intermediates VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-19 US disclosed
US-8399615-B2 Processes and intermediates VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-19 US disclosed
EP-2477966-A1 PROCESSES AND INTERMEDIATES Vertex Pharmaceuticals Incorporated (US) 2012-07-25 EP disclosed
WO-2010126881-A1 PROCESSES AND INTERMEDIATES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-04 WO disclosed
WO-2010126881-A1 PROCESSES AND INTERMEDIATES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-04 WO disclosed
US-20100272681-A1 Inhibitors of Serine Proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-28 US disclosed
US-20100063252-A1 PROCESSES AND INTERMEDIATES VERTEX PHARMACEUTICALS INCORPORATED 2010-03-11 US disclosed
US-20100063252-A1 PROCESSES AND INTERMEDIATES VERTEX PHARMACEUTICALS INCORPORATED 2010-03-11 US disclosed
US-20100063252-A1 PROCESSES AND INTERMEDIATES VERTEX PHARMACEUTICALS INCORPORATED 2010-03-11 US disclosed
WO-2007109023-A1 PROCESSES AND INTERMEDIATES FOR PREPARING STERIC COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-27 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 (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-20100063252-A1 PROCESSES AND INTERMEDIATES TFPI, SPINT2, SERPINB1 SMYD3 4168/4885METAP1 54/4885METAP2 124/4885
US-20130172276-A1 PROCESSES AND INTERMEDIATES TFPI, SPINT2, SERPINB1 SMYD3 4168/4885METAP1 54/4885METAP2 124/4885
US-20150038677-A1 PROCESS FOR THE SYNTHESIS OF TELAPREVIR, OR PHARMACEUTICALLY ACCEPTABLE SALTS OR SOLVATES AS WELL AS INTERMEDIATE PRODUCTS THEREOF ACE, REN, AGT SMYD3 926/4885METAP1 314/4885METAP2 761/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 SMYD3 2427/4885METAP1 38/4885METAP2 115/4885

“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.