SCHEMBL29317634

SCHEMBL29317634

N[C@H]1CC(C(=O)O)=CCC1=C(F)F

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABAT P80404 2/20 0.50
GABRR1 P24046 2/20 0.47
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
THRB P10828 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
KMT2A Q03164 1/20 0.36
OAT P04181 2/20 0.33
LMNA P02545 1/20 0.30

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
SCHEMBL29979297 1.00 ABAT (0.50) ABATGABRR1TSHRMAPK1HSD17B10
SCHEMBL29317690 0.72 ABAT (0.35) ABAT
SCHEMBL18735614 0.70 ABAT (0.44) ABATGABRR1TSHRMAPK1HSD17B10
SCHEMBL22645702 0.67 ABAT (1.00) ABATGABRR1TSHRMAPK1HSD17B10
SCHEMBL18717800 0.67 ABAT (1.00) ABATGABRR1TSHRMAPK1HSD17B10
SCHEMBL325503 0.66
SCHEMBL25405315 0.66 ABAT (0.71) ABATGABRR1TSHRMAPK1HSD17B10
Hydrochloric Acid SCHEMBL22645698 0.66 ABAT (0.96) ABATGABRR1TSHRMAPK1HSD17B10
Hydrochloric Acid SCHEMBL22645697 0.66 ABAT (0.96) ABATGABRR1TSHRMAPK1HSD17B10
SCHEMBL29276851 0.66 ABAT (0.71) ABATGABRR1TSHRMAPK1HSD17B10

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-20240239738-A1 (S)-3-AMINO-4-(DIFLUOROMETHYLENE)CYCLOHEXENE AND CYCLOHEXANE CARBOXYLIC ACID AND USES THEREOF AS SELECTIVE INACTIVATORS OF HUMAN ORNITHINE AMINOTRANSFERASE (hOAT) NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-07-18 US disclosed
US-20240239738-A1 (S)-3-AMINO-4-(DIFLUOROMETHYLENE)CYCLOHEXENE AND CYCLOHEXANE CARBOXYLIC ACID AND USES THEREOF AS SELECTIVE INACTIVATORS OF HUMAN ORNITHINE AMINOTRANSFERASE (hOAT) NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-07-18 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 (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-20240239738-A1 (S)-3-AMINO-4-(DIFLUOROMETHYLENE)CYCLOHEXENE AND CYCLOHEXANE CARBOXYLIC ACID AND USES THEREOF AS SELECTIVE INACTIVATORS OF HUMAN ORNITHINE AMINOTRANSFERASE (hOAT) AADAT, DLAT, OAT ABAT 14/4885GABRR1 3246/4885TSHR 1658/4885

“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.