SCHEMBL310038

SCHEMBL310038

CC(C)(C)c1ccc(F)c(C=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ERN1 O75460 3/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PLA2G1B P04054 1/20 0.36
NFKB1 P19838 1/20 0.36
CASP3 P42574 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36

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
SCHEMBL20861958 0.86 ERN1 (0.37) ERN1TDP1ALOX5APKIF11BACE1
SCHEMBL5737302 0.85 ERN1 (0.42) MAPTERN1ALDH1A1KIF11CA9
SCHEMBL12024979 0.84 ALOX5AP (0.38) MAPTSMN1; SMN2ERN1ALDH1A1HPGD
SCHEMBL269221 0.82 BACE1 (0.47) MAPTERN1ALOX5APMEN1KMT2A
SCHEMBL356134 0.81 MAPT (0.44) MAPTSMN1; SMN2ALDH1A1HPGDALOX15
SCHEMBL14020461 0.78 ALDH1A1 (0.45) MAPTSMN1; SMN2ERN1ALDH1A1HPGD
SCHEMBL1798644 0.78 MAPT (0.42) MAPTSMN1; SMN2ALDH1A1HPGDALOX15
SCHEMBL31152505 0.77 ERN1 (0.58) SMN1; SMN2ERN1ALDH1A1MEN1KMT2A
SCHEMBL31152503 0.77 ERN1 (0.58) SMN1; SMN2ERN1ALDH1A1MEN1KMT2A
SCHEMBL23802024 0.76 PRKDC (0.41) MAPTSMN1; SMN2ERN1ALDH1A1HPGD

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 30 patents — showing the first 20. 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
CN-108350028-B Peptide macrocycles against Acinetobacter baumannii 豪夫迈·罗氏有限公司 2021-12-07 CN disclosed
US-20210284638-A1 ALPHAvBETA1 INTEGRIN ANTAGONISTS SAINT LOUIS UNIVERSITY (US) 2021-09-16 US disclosed
US-20210284638-A1 ALPHAvBETA1 INTEGRIN ANTAGONISTS SAINT LOUIS UNIVERSITY (US) 2021-09-16 US 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-8084395-B2 4-aza indole derivatives and their use as fungicides SYNGENTA CROP PROTECTION, INC. (US) 2011-12-27 US disclosed
CN-102076678-A Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors NOVARTIS AG 2011-05-25 CN disclosed
EP-2303857-A1 CYCLIC SULFONES WITH AMINOBENZYL SUBSTITUTION USEFUL AS BACE INHIBITORS Novartis AG (CH) 2011-04-06 EP disclosed
US-20100184598-A1 4-AZA INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-07-22 US disclosed
US-20100184598-A1 4-AZA INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-07-22 US disclosed
EP-2190833-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS Novartis Ag (CH) 2010-06-02 EP disclosed
US-20100056490-A1 Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors NOVARTIS AG (CH) 2010-03-04 US disclosed
WO-2010003976-A1 CYCLIC SULFONES WITH AMINOBENZYL SUBSTITUTION USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2010-01-14 WO disclosed
WO-2009024615-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2009-02-26 WO disclosed
US-20090054427-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS BRIARD EMMANUELLE 2009-02-26 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 (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-20210284638-A1 ALPHAvBETA1 INTEGRIN ANTAGONISTS ITGB1, ITGAV, ITGA1 MAPT 4388/4885SMN1; SMN2 2205/4885ERN1 3452/4885
US-11066443-B2 Anti-bacterial peptide macrocycles and use thereof CFTR, VIP, NGLY1 MAPT 4718/4885SMN1; SMN2 3708/4885ERN1 1735/4885
US-20220411468-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII VIP, ARG1, CX3CR1 MAPT 4627/4885SMN1; SMN2 4573/4885ERN1 2560/4885
US-12012466-B2 Peptide macrocycles against Acinetobacter baumannii VIP, ARG1, CX3CR1 MAPT 4627/4885SMN1; SMN2 4573/4885ERN1 2560/4885
US-20090054427-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS BACE2, BACE1, APP MAPT 49/4885SMN1; SMN2 1559/4885ERN1 4305/4885
US-20100056490-A1 Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors BACE2, BACE1, APP MAPT 67/4885SMN1; SMN2 1488/4885ERN1 4033/4885
US-20100184598-A1 4-AZA INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES IDO1, INMT, AZI2 MAPT 2577/4885SMN1; SMN2 4466/4885ERN1 2799/4885

“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.