SCHEMBL18795683

SCHEMBL18795683

COC(=O)c1cccnc1SSc1ncccc1C(=O)OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.64
PKM P14618 1/20 0.64
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
TDP1 Q9NUW8 1/20 0.54
MAP2K1 Q02750 1/20 0.51
TSHR P16473 3/20 0.51
KDM4E B2RXH2 3/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
ATM Q13315 2/20 0.49
POLB P06746 2/20 0.49
PSMD14 O00487 1/20 0.48
LMNA P02545 1/20 0.47
CRHBP P24387 1/20 0.46

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
SCHEMBL3717527 0.88 KMT2A (0.72) L3MBTL1PKMMEN1KMT2ATDP1
SCHEMBL9661173 0.82 PKM (0.68) L3MBTL1PKMMEN1KMT2ATDP1
SCHEMBL9501471 0.82 L3MBTL1 (0.64) L3MBTL1PKMMEN1KMT2ATDP1
SCHEMBL9565856 0.81 L3MBTL1 (0.56) L3MBTL1PKMMEN1KMT2ATDP1
SCHEMBL812065 0.79 KDM4E (0.59) L3MBTL1PKMMEN1KMT2ATDP1
SCHEMBL8630241 0.79 L3MBTL1 (1.00) L3MBTL1PKMMEN1KMT2ATDP1
SCHEMBL4131695 0.79 L3MBTL1 (0.64) L3MBTL1PKMMEN1KMT2ATDP1
SCHEMBL69990 0.78 L3MBTL1 (0.62) L3MBTL1PKMMEN1KMT2ATDP1
SCHEMBL1248162 0.78 P2RX7 (0.66) L3MBTL1PKMTDP1MAP2K1TSHR
SCHEMBL31185958 0.78 KDM4E (0.57) L3MBTL1PKMMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12012466-B2 Peptide macrocycles against Acinetobacter baumannii HOFFMANN-LA ROCHE INC. (US) 2024-06-18 US disclosed
US-20220411468-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII HOFFMANN-LA ROCHE INC. (US) 2022-12-29 US disclosed
CN-108350028-B Peptide macrocycles against Acinetobacter baumannii 豪夫迈·罗氏有限公司 2021-12-07 CN disclosed
EP-3368544-B1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII HOFFMANN LA ROCHE (CH) 2020-06-17 EP disclosed
US-20180362578-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII HOFFMANN-LA ROCHE INC. (US) 2018-12-20 US disclosed
EP-3368544-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII H. Hoffnabb-La Roche Ag (CH) 2018-09-05 EP disclosed
US-10030047-B2 Peptide macrocycles against acinetobacter baumannii HOFFMANN-LA ROCHE INC. (US) 2018-07-24 US disclosed
US-20170233437-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII HOFFMANN-LA ROCHE INC. (US) 2017-08-17 US disclosed
WO-2017072062-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII F. HOFFMANN-LA ROCHE AG (CH) 2017-05-04 WO 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 (5 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-20220411468-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII VIP, ARG1, CX3CR1 L3MBTL1 2036/4885PKM 3131/4885MEN1 650/4885
US-12012466-B2 Peptide macrocycles against Acinetobacter baumannii VIP, ARG1, CX3CR1 L3MBTL1 2036/4885PKM 3131/4885MEN1 650/4885
US-20180362578-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII VIP, ARG1, CX3CR1 L3MBTL1 2036/4885PKM 3131/4885MEN1 650/4885
US-20170233437-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII VIP, ARG1, CX3CR1 L3MBTL1 2036/4885PKM 3131/4885MEN1 650/4885
US-10030047-B2 Peptide macrocycles against acinetobacter baumannii VIP, ARG1, CX3CR1 L3MBTL1 2036/4885PKM 3131/4885MEN1 650/4885

“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.