SCHEMBL22262011

SCHEMBL22262011

COc1ccc(COC(=O)NCCSS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.57
ACHE P22303 1/20 0.57
GLA P06280 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 7/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
EGFR P00533 1/20 0.47
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 1/20 0.45
G6PD P11413 1/20 0.44
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL6965009 0.77 BCHE (0.74) BCHEACHEALDH1A1SMN1; SMN2EGFR
SCHEMBL8439806 0.75 ALDH1A1 (0.52) GLAKMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL11526146 0.74 ALDH1A1 (0.60) GLAKMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL6954550 0.74 ACHE (1.00) BCHEACHEALDH1A1EGFRPKM
SCHEMBL8439121 0.73 ALDH1A1 (0.58) GLAKMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL6750273 0.73 ALDH1A1 (0.58) GLAKMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL9283647 0.72 ALDH1A1 (0.51) ACHEGLAKMT2AALDH1A1SMN1; SMN2
SCHEMBL9828159 0.72 HTT (0.58) GLAKMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL10924997 0.71 KMT2A (0.68) GLAKMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL9571792 0.71 CA1 (0.51) ACHEGLAKMT2AALDH1A1SMN1; SMN2

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
EP-3693374-B1 NOVEL 2-CARBOXYPENAM COMPOUND OR SALT THEREOF, PHARMACEUTICAL COMPOSITION CONTAINING SAID COMPOUND OR SALT, AND APPLICATION THEREOF FUJIFILM CORP (JP) 2022-01-26 EP disclosed
US-11208421-B2 2-carboxypenam compound or salt thereof, pharmaceutical composition containing novel 2-carboxypenam compound or salt thereof, and applications thereof FUJIFILM CORPORATION (JP) 2021-12-28 US disclosed
EP-3693374-A1 NOVEL 2-CARBOXYPENAM COMPOUND OR SALT THEREOF, PHARMACEUTICAL COMPOSITION CONTAINING SAID COMPOUND OR SALT, AND APPLICATION THEREOF Fujifilm Corporation (JP) 2020-08-12 EP disclosed
US-20200239495-A1 NOVEL 2-CARBOXYPENAM COMPOUND OR SALT THEREOF, PHARMACEUTICAL COMPOSITION CONTAINING NOVEL 2-CARBOXYPENAM COMPOUND OR SALT THEREOF, AND APPLICATIONS THEREOF FUJIFILM CORPORATION (JP) 2020-07-30 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 (2 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-11208421-B2 2-carboxypenam compound or salt thereof, pharmaceutical composition containing novel 2-carboxypenam compound or salt thereof, and applications thereof CFTR, SLC11A2, SLC20A1 BCHE 3658/4885ACHE 4613/4885GLA 1771/4885
US-20200239495-A1 NOVEL 2-CARBOXYPENAM COMPOUND OR SALT THEREOF, PHARMACEUTICAL COMPOSITION CONTAINING NOVEL 2-CARBOXYPENAM COMPOUND OR SALT THEREOF, AND APPLICATIONS THEREOF CFTR, SLC11A2, SLC20A1 BCHE 3545/4885ACHE 4663/4885GLA 2080/4885

“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.