SCHEMBL27232796

SCHEMBL27232796

NC1C=C(C(=O)O)CCC1(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OAT P04181 1/20 0.46
▸ ABAT P80404 1/20 0.40
▸ GABRR1 P24046 2/20 0.36
▸ TSHR P16473 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ BLM P54132 2/20 0.33
▸ THRB P10828 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SRD5A2 P31213 1/20 0.33
▸ GABRP O00591 1/20 0.32
▸ GABRD O14764 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRB1 P18505 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ GABRA3 P34903 1/20 0.32

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
SCHEMBL23299694 1.00 OAT (0.46) OATABATGABRR1TSHRMAPK1
Hydrochloric Acid SCHEMBL23274780 0.98 OAT (0.44) OATABATGABRR1TSHRMAPK1
Hydrochloric Acid SCHEMBL23274778 0.98 OAT (0.44) OATABATGABRR1TSHRMAPK1
SCHEMBL23299700 0.82 OAT (0.43) OATABATGABRR1TSHRMAPK1
SCHEMBL23299698 0.82 OAT (0.43) OATABATGABRR1TSHRMAPK1
SCHEMBL27231957 0.81 ABAT (0.42) OATABATGABRR1TSHRMAPK1
SCHEMBL27224967 0.81 ABAT (0.42) OATABATGABRR1TSHRMAPK1
Hydrochloric Acid SCHEMBL27224962 0.79 ABAT (0.41) OATABATGABRR1TSHRMAPK1
SCHEMBL24731262 0.66 GABRP (0.33) OATGABRR1TSHRBLMSRD5A2
SCHEMBL30782573 0.66 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174596-A1 (S)-3-AMINO-4,4-DIHALOCYCLOPENT-1-ENECARBOXYLIC ACID AS SELECTIVE INACTIVATORS OF HUMAN ORNITHINE AMINOTRANSFERASE NORTHWESTERN UNIVERSITY 2024-05-30 — — US disclosed
CN-117321025-A (S) -3-amino-4, 4-dihalocyclopent-1-enecarboxylic acid as selective inactivating agent for human ornithine aminotransferase 西北大学 2023-12-29 — — CN 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 (1 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-20240174596-A1 (S)-3-AMINO-4,4-DIHALOCYCLOPENT-1-ENECARBOXYLIC ACID AS SELECTIVE INACTIVATORS OF HUMAN ORNITHINE AMINOTRANSFERASE OAT, DLAT, ODC1 OAT 1/4885ABAT 7/4885GABRR1 2171/4885

“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.

Send feedback