SCHEMBL8344610

SCHEMBL8344610

Nc1nc(C(=NOCCF)C(=O)O)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 3/20 0.39
GAA P10253 1/20 0.39
GABRA5 P31644 1/20 0.38
GABRB2 P47870 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
TDP1 Q9NUW8 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
APAF1 O14727 2/20 0.36
TSHR P16473 2/20 0.36
APEX1 P27695 1/20 0.36
PLCG1 P19174 1/20 0.36
ABCC2 Q92887 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
SCHEMBL8344606 1.00 MAPT (0.46) MAPTMEN1ALDH1A1KMT2ANPC1
SCHEMBL11011973 0.90 MAPT (0.47) MAPTMEN1ALDH1A1KMT2ANPC1
SCHEMBL9691150 0.90 MAPT (0.47) MAPTMEN1ALDH1A1KMT2ANPC1
SCHEMBL9691164 0.90 MAPT (0.47) MAPTMEN1ALDH1A1KMT2ANPC1
SCHEMBL10404563 0.89 MEN1 (0.46) MAPTMEN1ALDH1A1KMT2ANPC1
SCHEMBL8441636 0.89 MAPT (0.48) MAPTMEN1ALDH1A1KMT2ANPC1
SCHEMBL8441638 0.89 MAPT (0.48) MAPTMEN1ALDH1A1KMT2ANPC1
SCHEMBL10404561 0.88 MEN1 (0.45) MAPTMEN1ALDH1A1KMT2ANPC1
SCHEMBL10404562 0.88 MEN1 (0.45) MAPTMEN1ALDH1A1KMT2ANPC1
SCHEMBL9691586 0.86 MAPT (0.52) MAPTMEN1ALDH1A1KMT2ANPC1

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
EP-3630783-A1 PENICILLIN-BINDING PROTEIN INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2020-04-08 EP disclosed
US-20200102331-A1 PENICILLIN-BINDING PROTEIN INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-04-02 US disclosed
WO-2018218154-A1 PENICILLIN-BINDING PROTEIN INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2018-11-29 WO disclosed
US-5939410-A AN ANTIBIOTIC COMPRISING A HYDROLYSABLE ESTERS IN VIVO HOFFMANN-LA ROCHE INC. (US) 1999-08-17 US disclosed
US-5789584-A Substituted-pyridinyl cephalosporin antibiotics active against methicillin resistant bacteria MICROCIDE PHARMACEUTICALS, INC. (US) 1998-08-04 US disclosed
US-5756493-A ACTIVE AGAINST METHICILLIN RESISTANT BACTERIA MICROCIDE PHARMACEUTICALS, INC. (US) 1998-05-26 US disclosed
EP-0831093-A1 1-Carba-(dethia)-Cephalosporin Derivatives F. HOFFMANN-LA ROCHE AG (CH) 1998-03-25 EP disclosed
US-5698547-A 7-(ACYLAMINO)-3-(ARYLTHIO)-3-CEPHEM-4-CARBOXYLIC ACIDS WHICH EXHIBIT ANTIBACTERIAL ACTIVITY AGAINST ORGANISMS RESISTANT TO BETA-LACTAM ANTIBIOTICS MICROCIDE PHARMACEUTICALS, INC. (US) 1997-12-16 US disclosed
US-5607926-A ACTIVE AGAINST METHICILLIN RESISTANT BACTERIA MICROCIDE PHARMACEUTICALS, INC. (US) 1997-03-04 US disclosed
US-5604218-A EXHIBITS ACTIVITY AGAINST METHICILLIN RESISTANT BACTERIA MICROCIDE PHARMACEUTICALS, INC. (US) 1997-02-18 US disclosed
US-5593986-A Cephalosporin antibiotics MICROCIDE PHARMACEUTICALS, INC. (US) 1997-01-14 US disclosed
WO-1996038450-A1 CEPHALOSPORIN ANTIBIOTICS MICROCIDE PHARMACEUTICALS, INC. (US) 1996-12-05 WO disclosed
EP-0160252-B1 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1992-08-26 EP disclosed
US-4788185-A Cephalosporin compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-11-29 US disclosed
EP-0160252-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1985-11-06 EP 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 (1 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-20200102331-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL MAPT 3146/4885MEN1 3629/4885ALDH1A1 2794/4885

“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.