SCHEMBL2000993

SCHEMBL2000993

CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CBr)C1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.53
USP30 Q70CQ3 9/20 0.50
HSD11B1 P28845 4/20 0.50
CYP2C9 P11712 1/20 0.50
FPR3 P25089 1/20 0.46
FPR2 P25090 1/20 0.46
HDAC4 P56524 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PARP1 P09874 1/20 0.44

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
SCHEMBL2000386 1.00 EPHX1 (0.53) EPHX1USP30HSD11B1CYP2C9FPR3
SCHEMBL2000384 1.00 EPHX1 (0.53) EPHX1USP30HSD11B1CYP2C9FPR3
SCHEMBL10013663 0.88 NR1H2 (0.48) EPHX1USP30FPR3FPR2ALDH1A1
SCHEMBL17560314 0.87 EPHX1 (0.55) EPHX1USP30HSD11B1CYP2C9FPR3
SCHEMBL17560313 0.87 EPHX1 (0.55) EPHX1USP30HSD11B1CYP2C9FPR3
SCHEMBL2040388 0.87 EPHX1 (0.55) EPHX1USP30HSD11B1CYP2C9FPR3
SCHEMBL7456395 0.86 EPHX1 (0.53) EPHX1USP30HSD11B1CYP2C9HDAC4
SCHEMBL18632877 0.86 EPHX1 (0.53) EPHX1USP30HSD11B1CYP2C9HDAC4
SCHEMBL30505540 0.86 EPHX1 (0.53) EPHX1USP30HSD11B1CYP2C9HDAC4
SCHEMBL5118879 0.86 EPHX1 (0.53) EPHX1USP30HSD11B1CYP2C9HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590978-B1 CARBAPENEM ANTIBACTERIALS WITH GRAM-NEGATIVE ACTIVITY FOB SYNTHESIS INC (US) 2017-09-20 EP disclosed
US-20150306071-A1 Carbapenem Antibacterials with Gram-Negative Activity CHOI, WOO-BAEG, DR. 2015-10-29 US disclosed
US-9149461-B2 Carbapenem antibacterials with gram-negative activity FOB SYNTHESIS, INC. (US) 2015-10-06 US disclosed
US-20130172313-A1 Carbapenem Antibacterials with Gram-Negative Activity FOB SYNTHESIS, INC. (US) 2013-07-04 US disclosed
US-7964613-B2 (S)-3-amino-1-(4-bromo-5-isoquinolinesulfonyl)pyrrolidine; inhibits phosphorylation of myosin regulatory light chain; for spinal canal stenosis, spinal cord injury, rheumatoid arthritis, multiple sclerosis; Rho kinase inhibitors ASAHI KASEI PHARMA CORPORATION (JP) 2011-06-21 US disclosed
EP-2130828-A1 SULFONAMIDE DERIVATIVE Asahi Kasei Pharma Corporation (JP) 2009-12-09 EP disclosed
US-20090048223-A1 Sulfonamide compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-19 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-20130172313-A1 Carbapenem Antibacterials with Gram-Negative Activity MGAM, GSK3B, GSK3A EPHX1 3387/4885USP30 3027/4885HSD11B1 586/4885
US-20150306071-A1 Carbapenem Antibacterials with Gram-Negative Activity MGAM, GSK3B, GSK3A EPHX1 3387/4885USP30 3027/4885HSD11B1 586/4885
US-20090048223-A1 Sulfonamide compound ALK, AKT1, ARAF EPHX1 3344/4885USP30 4115/4885HSD11B1 1984/4885

“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.