SCHEMBL2237243

SCHEMBL2237243

N[C@@H](CCCNC(=O)c1cnccn1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
LMNA P02545 1/20 0.59
HPGD P15428 1/20 0.59
KMT2A Q03164 5/20 0.52
MEN1 O00255 2/20 0.50
POLB P06746 1/20 0.50
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ATM Q13315 1/20 0.46
NPC1 O15118 1/20 0.46
ALOX15 P16050 1/20 0.46
RAB9A P51151 1/20 0.46
OTC P00480 1/20 0.46

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
SCHEMBL2237253 1.00 KDM4E (0.59) KDM4ELMNAHPGDKMT2AMEN1
SCHEMBL2236090 0.92 HPGD (0.65) KDM4ELMNAHPGDKMT2AMEN1
SCHEMBL2236078 0.92 HPGD (0.65) KDM4ELMNAHPGDKMT2AMEN1
SCHEMBL2240076 0.83 HPGD (0.53) KDM4ELMNAHPGDKMT2AMEN1
SCHEMBL15209459 0.83 HPGD (0.53) KDM4ELMNAHPGDKMT2AMEN1
SCHEMBL14558293 0.82 KDM4E (0.51) KDM4ELMNAHPGDKMT2AMEN1
SCHEMBL25146755 0.82 KDM4E (0.68) KDM4ELMNAHPGDKMT2AMEN1
SCHEMBL2240238 0.81 SMN1; SMN2 (0.63) KMT2AMEN1HDAC3HDAC1SMN1; SMN2
SCHEMBL2240242 0.81 SMN1; SMN2 (0.63) KMT2AMEN1HDAC3HDAC1SMN1; SMN2
SCHEMBL5965431 0.80 KDM4E (0.47) KDM4ELMNAHPGD

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115109400-B Biodegradable butylene glycol-based polyester elastomer tread rubber and preparation method thereof 北京化工大学 2025-04-29 CN disclosed
CN-119173562-A Process for recovering raw materials from isocyanurate-containing polyurethane products 科思创德国股份有限公司 2024-12-20 CN disclosed
CN-115109401-B Polyester rubber composite tire with biodegradable tread and preparation method thereof 北京化工大学 2024-10-11 CN disclosed
CN-118339223-A Method for recovering raw materials from polyurethane products 科思创德国股份有限公司 2024-07-12 CN disclosed
CN-118215707-A Method for recovering raw materials from polyurethane products 科思创德国股份有限公司 2024-06-18 CN disclosed
CN-113993928-B Method for recovering raw materials from polyurethane products 科思创德国股份有限公司 2024-06-07 CN disclosed
CN-118139918-A Method for cleaving (poly) urethanes 科思创德国股份有限公司 2024-06-04 CN disclosed
CN-115109399-B Degradable sole and welt rubber material, and preparation method and application thereof 北京化工大学 2024-04-26 CN disclosed
CN-117480207-A Method for cracking polyurethane products 科思创德国股份有限公司 2024-01-30 CN disclosed
US-11793855-B2 TFPI inhibitors and methods of use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-24 US disclosed
WO-2013141965-A1 TFPI INHIBITORS AND METHODS OF USE BAXTER INTERNATIONAL INC. (US) 2013-09-26 WO disclosed
US-20130252896-A1 TFPI INHIBITORS AND METHODS OF USE BAXTER HEALTHCARE SA (CH) 2013-09-26 US disclosed
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2013-08-29 US disclosed
US-8450275-B2 TFPI inhibitors and methods of use BAXTER INTERNATIONAL INC. (US) 2013-05-28 US disclosed
US-8450275-B2 TFPI inhibitors and methods of use BAXTER INTERNATIONAL INC. (US) 2013-05-28 US disclosed
EP-2531520-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY Polyphor AG (CH) 2012-12-12 EP disclosed
US-20120028901-A1 TFPI INHIBITORS AND METHODS OF USE BAXTER INTERNATIONAL INC. (US) 2012-02-02 US disclosed
US-20120028901-A1 TFPI INHIBITORS AND METHODS OF USE BAXTER INTERNATIONAL INC. (US) 2012-02-02 US disclosed
WO-2011115712-A2 TFPI INHIBITORS AND METHODS OF USE BAXTER INTERNATIONAL INC (US) 2011-09-22 WO disclosed
WO-2011095607-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2011-08-11 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-20120028901-A1 TFPI INHIBITORS AND METHODS OF USE TFPI, TFPI2, F3 KDM4E 4344/4885LMNA 1445/4885HPGD 1796/4885
US-20130252896-A1 TFPI INHIBITORS AND METHODS OF USE TFPI, TFPI2, F13B KDM4E 4610/4885LMNA 1505/4885HPGD 1650/4885
US-11793855-B2 TFPI inhibitors and methods of use TFPI, TFPI2, F3 KDM4E 4324/4885LMNA 1466/4885HPGD 1870/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 KDM4E 4606/4885LMNA 4127/4885HPGD 2044/4885

“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.