SCHEMBL16178232

SCHEMBL16178232

COC(=O)c1cccc(CS(=O)(=O)NCB(O)OC(C)(C)C(C)(C)O)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.45
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
RORC P51449 1/20 0.44
SLC7A5 Q01650 1/20 0.43
MRGPRX4 Q96LA9 4/20 0.42
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.40
PTPRB P23467 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.39
FOLH1 Q04609 1/20 0.39
POLB P06746 1/20 0.38
HIF1A Q16665 1/20 0.37

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
SCHEMBL16178463 0.86 LOXL2 (0.40) LOXL2CYP4F2CYP4A11RORCMAPT
SCHEMBL16178580 0.82 CA1 (0.44) ALDH1A1
SCHEMBL14861439 0.82 LOXL2 (0.55) LOXL2CYP4F2CYP4A11RORCSLC7A5
Hydrochloric Acid SCHEMBL16178563 0.82 CYP19A1 (0.34)
SCHEMBL16178562 0.82 CYP2C19 (0.42) RORCMAPTRAB9AALDH1A1TSHR
SCHEMBL3932525 0.73 LOXL2 (0.66) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL35360 0.71 LOXL2 (0.64) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL9893361 0.71 LOXL2 (0.42) LOXL2CYP4F2CYP4A11SLC7A5MAPT
SCHEMBL12459396 0.70 LOXL2 (0.67) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL5969642 0.70 LOXL2 (0.62) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4

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-9371337-B2 β-lactamase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-06-21 US disclosed
US-20140315861-A1 BETA-LACTAMASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-10-23 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-20140315861-A1 BETA-LACTAMASE INHIBITORS BTD, GUSB, BLVRB LOXL2 1054/4885CYP4F2 2301/4885CYP4A11 1961/4885

“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.