SCHEMBL18795437

SCHEMBL18795437

COC(=O)c1ccccc1Sc1c(Cl)cc(C(F)(F)F)cc1C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.42
MAPT P10636 5/20 0.42
HTT P42858 3/20 0.42
MRGPRX4 Q96LA9 2/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 1/20 0.39
POLB P06746 2/20 0.38
CFTR P13569 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PKLR P30613 1/20 0.38
P2RX1 P51575 1/20 0.37
P2RX4 Q99571 1/20 0.37
P2RX7 Q99572 1/20 0.37
TMPRSS4 Q9NRS4 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
SCHEMBL18795548 0.85 MAPT (0.45) LMNAMAPTHTTALDH1A1SMN1; SMN2
SCHEMBL18795981 0.84 MAPT (0.44) LMNAMAPTHTTALDH1A1SMN1; SMN2
SCHEMBL18795791 0.84 MAPT (0.47) LMNAMAPTHTTALDH1A1SMN1; SMN2
SCHEMBL18795625 0.83 TP53 (0.43) LMNAMAPTHTTMRGPRX4ALDH1A1
SCHEMBL18795641 0.83 MAPT (0.44) LMNAMAPTHTTALDH1A1SMN1; SMN2
SCHEMBL19206908 0.83 LMNA (0.39) LMNAMAPTHTTMRGPRX4ALDH1A1
SCHEMBL18795945 0.83 MAPT (0.42) LMNAMAPTHTTMRGPRX4ALDH1A1
SCHEMBL18795704 0.82 CFTR (0.47) LMNAMAPTHTTMRGPRX4ALDH1A1
SCHEMBL18795490 0.80 MAPT (0.47) LMNAMAPTHTTALDH1A1SMN1; SMN2
SCHEMBL18795205 0.80 CFTR (0.47) LMNAMAPTHTTMRGPRX4ALDH1A1

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 15 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
CN-110366556-B Antibacterial peptide macrocyclic compounds and uses thereof 豪夫迈·罗氏有限公司 2024-01-05 CN 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 LMNA 3511/4885MAPT 4718/4885HTT 2536/4885
US-20220411468-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII VIP, ARG1, CX3CR1 LMNA 3944/4885MAPT 4627/4885HTT 4717/4885
US-12012466-B2 Peptide macrocycles against Acinetobacter baumannii VIP, ARG1, CX3CR1 LMNA 3944/4885MAPT 4627/4885HTT 4717/4885
US-20200040031-A1 ANTI-BACTERIAL PEPTIDE MACROCYCLES AND USE THEREOF CFTR, VIP, NGLY1 LMNA 3511/4885MAPT 4718/4885HTT 2536/4885
US-20180362578-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII VIP, ARG1, CX3CR1 LMNA 3944/4885MAPT 4627/4885HTT 4717/4885
US-20170233437-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII VIP, ARG1, CX3CR1 LMNA 3944/4885MAPT 4627/4885HTT 4717/4885
US-10030047-B2 Peptide macrocycles against acinetobacter baumannii VIP, ARG1, CX3CR1 LMNA 3944/4885MAPT 4627/4885HTT 4717/4885

“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.