SCHEMBL21100640

SCHEMBL21100640

C/C(=C/F)CCNC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
GAA P10253 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA12 O43570 3/20 0.41
CA9 Q16790 3/20 0.41
EPHX1 P07099 1/20 0.41
HTT P42858 2/20 0.40
APLNR P35414 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HIF1A Q16665 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL4001822 0.80 TDP1 (0.56) TDP1GAAMEN1KMT2AMAOA
SCHEMBL397758 0.80 TDP1 (0.56) TDP1GAAMEN1KMT2AMAOA
SCHEMBL23813191 0.79 TDP1 (0.45) TDP1GAAMEN1KMT2AMAOA
SCHEMBL7757680 0.78 TDP1 (0.55) TDP1GAAMEN1KMT2AMAOA
SCHEMBL22820949 0.77 TDP1 (0.50) TDP1GAAMEN1KMT2AMAOA
SCHEMBL19684698 0.77 TDP1 (0.50) TDP1GAAMEN1KMT2AMAOA
SCHEMBL3341020 0.77 TDP1 (0.67) TDP1GAAMEN1KMT2AMAOA
SCHEMBL22693649 0.77 TDP1 (0.53) TDP1GAAMEN1KMT2AMAOA
SCHEMBL21929485 0.76 TDP1 (0.49) TDP1GAAMEN1KMT2AMAOA
SCHEMBL2799440 0.76 TDP1 (0.56) TDP1GAAMEN1KMT2AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708332-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-11230530-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2022-01-25 US disclosed
EP-3113772-B1 TRIFLUOROMETHYL SUBSTITUTED PYRAZOLES AS HUMAN PLASMA KALLIKREIN INHIBITORS BIOCRYST PHARM INC (US) 2020-09-09 EP disclosed
US-10329260-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2019-06-25 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-11708332-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 TDP1 1882/4885GAA 450/4885MEN1 393/4885
US-10329260-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 TDP1 1582/4885GAA 357/4885MEN1 519/4885
US-11230530-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 TDP1 1867/4885GAA 360/4885MEN1 501/4885

“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.