SCHEMBL4242586

SCHEMBL4242586

NC(=O)CCSC[C@H](N)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.60
ARG2 P78540 1/20 0.60
NOS2 P35228 5/20 0.58
NOS1 P29475 3/20 0.58
NOS3 P29474 2/20 0.58
ALOX15 P16050 2/20 0.56
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
KMT2A Q03164 1/20 0.56
BHMT Q93088 5/20 0.46
GRM8 O00222 1/20 0.41
GRM6 O15303 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GSR P00390 1/20 0.41
CYP1A2 P05177 1/20 0.41
GRIK1 P39086 1/20 0.41
GRM5 P41594 1/20 0.41
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41

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
SCHEMBL1106818 1.00 ARG1 (0.60) ARG1ARG2NOS2NOS1NOS3
SCHEMBL17852468 0.92 NOS2 (0.60) ARG1ARG2NOS2NOS1NOS3
SCHEMBL25678741 0.87 ARG1 (0.46) ARG1ARG2NOS2NOS1NOS3
SCHEMBL17361240 0.86 ARG1 (0.69) ARG1ARG2NOS2NOS1NOS3
SCHEMBL17361239 0.86 ARG1 (0.69) ARG1ARG2NOS2NOS1NOS3
SCHEMBL1867971 0.84 BHMT (0.62) ARG1ARG2NOS2NOS1NOS3
SCHEMBL1867969 0.84 BHMT (0.62) ARG1ARG2NOS2NOS1NOS3
SCHEMBL16439028 0.83 ALOX15 (0.52) ARG1ARG2NOS2NOS1NOS3
SCHEMBL27552293 0.82 ARG1 (0.53) ARG1ARG2NOS2NOS1NOS3
SCHEMBL2781165 0.82 ARG1 (0.53) ARG1ARG2NOS2NOS1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11793855-B2 TFPI inhibitors and methods of use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-24 US disclosed
US-11793855-B2 TFPI inhibitors and methods of use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-24 US disclosed
US-10800816-B2 TFPI inhibitors and methods of use Baxalta GmbH (CH) 2020-10-13 US disclosed
US-20190134147-A1 TFPI INHIBITORS AND METHODS OF USE Baxalta GmbH (CH) 2019-05-09 US disclosed
US-10201586-B2 TFPI inhibitors and methods of use Baxalta GmbH (CH) 2019-02-12 US disclosed
US-20180155399-A1 TFPI INHIBITORS AND METHODS OF USE Baxalta GmbH (CH) 2018-06-07 US disclosed
US-20180155399-A1 TFPI INHIBITORS AND METHODS OF USE Baxalta GmbH (CH) 2018-06-07 US disclosed
US-9873720-B2 TFPI inhibitors and methods of use Baxalta GmbH (CH) 2018-01-23 US disclosed
US-9873720-B2 TFPI inhibitors and methods of use Baxalta GmbH (CH) 2018-01-23 US disclosed
US-20170174727-A1 TFPI INHIBITORS AND METHODS OF USE Baxalta GmbH (CH) 2017-06-22 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-20130252896-A1 TFPI INHIBITORS AND METHODS OF USE BAXTER HEALTHCARE SA (CH) 2013-09-26 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
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
US-20090022862-A1 Method to limit acrylamide in heated foods CHILDREN'S MEDICAL CENTER CORPORATION (US) 2009-01-22 US disclosed
WO-2006017526-A2 METHOD TO LIMIT ACRYLAMIDE IN HEATED FOODS CHILDREN'S MEDICAL CENTER CORPORATION (US) 2006-02-16 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 (8 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 ARG1 1935/4885ARG2 3701/4885NOS2 3014/4885
US-20170174727-A1 TFPI INHIBITORS AND METHODS OF USE TFPI, TFPI2, F13B ARG1 1900/4885ARG2 3706/4885NOS2 3173/4885
US-20180155399-A1 TFPI INHIBITORS AND METHODS OF USE TFPI, TFPI2, F13B ARG1 1900/4885ARG2 3706/4885NOS2 3173/4885
US-20130252896-A1 TFPI INHIBITORS AND METHODS OF USE TFPI, TFPI2, F13B ARG1 1900/4885ARG2 3706/4885NOS2 3173/4885
US-10201586-B2 TFPI inhibitors and methods of use TFPI, TFPI2, F3 ARG1 1987/4885ARG2 3703/4885NOS2 3085/4885
US-11793855-B2 TFPI inhibitors and methods of use TFPI, TFPI2, F3 ARG1 1987/4885ARG2 3703/4885NOS2 3085/4885
US-10800816-B2 TFPI inhibitors and methods of use TFPI, TFPI2, F13B ARG1 1900/4885ARG2 3706/4885NOS2 3173/4885
US-20190134147-A1 TFPI INHIBITORS AND METHODS OF USE TFPI, TFPI2, F3 ARG1 1987/4885ARG2 3703/4885NOS2 3085/4885

“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.