SCHEMBL18795490

SCHEMBL18795490

COC(=O)c1ccccc1Sc1c(Cl)cccc1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
POLB P06746 2/20 0.44
HSD17B10 Q99714 1/20 0.44
PKLR P30613 1/20 0.43
ALDH1A1 P00352 6/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 1/20 0.39
NR4A2 P43354 2/20 0.39
HTT P42858 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TSHR P16473 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL18795548 0.85 MAPT (0.45) MAPTPOLBHSD17B10PKLRALDH1A1
SCHEMBL18796032 0.85 POLB (0.47) MAPTPOLBHSD17B10PKLRALDH1A1
SCHEMBL18795542 0.84 ALDH1A1 (0.40) MAPTPOLBHSD17B10ALDH1A1L3MBTL1
SCHEMBL18795791 0.84 MAPT (0.47) MAPTPOLBHSD17B10PKLRALDH1A1
SCHEMBL18795981 0.84 MAPT (0.44) MAPTPOLBHSD17B10PKLRALDH1A1
SCHEMBL18795440 0.83 MAPT (0.45) MAPTPOLBHSD17B10PKLRALDH1A1
SCHEMBL18795641 0.83 MAPT (0.44) MAPTPOLBHSD17B10PKLRALDH1A1
SCHEMBL18795378 0.82 MAPT (0.45) MAPTPOLBHSD17B10PKLRALDH1A1
SCHEMBL9540329 0.82 ALDH1A1 (0.54) MAPTPOLBALDH1A1SMN1; SMN2HPGD
SCHEMBL18795412 0.82 MAPT (0.46) MAPTPOLBHSD17B10PKLRALDH1A1

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 14 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
EP-3609904-B1 ANTI-BACTERIAL PEPTIDE MACROCYCLES AND USE THEREOF HOFFMANN LA ROCHE (CH) 2022-11-30 EP disclosed
US-11066443-B2 Anti-bacterial peptide macrocycles and use thereof HOFFMANN-LA ROCHE INC. (US) 2021-07-20 US disclosed
EP-3368544-B1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII HOFFMANN LA ROCHE (CH) 2020-06-17 EP disclosed
EP-3609904-A1 ANTI-BACTERIAL PEPTIDE MACROCYCLES AND USE THEREOF H. Hoffnabb-La Roche Ag (CH) 2020-02-19 EP disclosed
US-20200040031-A1 ANTI-BACTERIAL PEPTIDE MACROCYCLES AND USE THEREOF HOFFMANN LA ROCHE (US) 2020-02-06 US disclosed
US-20180362578-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII HOFFMANN-LA ROCHE INC. (US) 2018-12-20 US disclosed
WO-2018189065-A1 ANTI-BACTERIAL PEPTIDE MACROCYCLES AND USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2018-10-18 WO disclosed
EP-3388444-A1 ANTI-BACTERIAL PEPTIDE MACROCYCLES AND USE THEREOF F. Hoffmann-La Roche AG (CH) 2018-10-17 EP 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 (7 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-11066443-B2 Anti-bacterial peptide macrocycles and use thereof CFTR, VIP, NGLY1 MAPT 4718/4885POLB 1244/4885HSD17B10 4643/4885
US-20220411468-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII VIP, ARG1, CX3CR1 MAPT 4627/4885POLB 3834/4885HSD17B10 4357/4885
US-12012466-B2 Peptide macrocycles against Acinetobacter baumannii VIP, ARG1, CX3CR1 MAPT 4627/4885POLB 3834/4885HSD17B10 4357/4885
US-20200040031-A1 ANTI-BACTERIAL PEPTIDE MACROCYCLES AND USE THEREOF CFTR, VIP, NGLY1 MAPT 4718/4885POLB 1244/4885HSD17B10 4643/4885
US-20180362578-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII VIP, ARG1, CX3CR1 MAPT 4627/4885POLB 3834/4885HSD17B10 4357/4885
US-20170233437-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII VIP, ARG1, CX3CR1 MAPT 4627/4885POLB 3834/4885HSD17B10 4357/4885
US-10030047-B2 Peptide macrocycles against acinetobacter baumannii VIP, ARG1, CX3CR1 MAPT 4627/4885POLB 3834/4885HSD17B10 4357/4885

“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.