SCHEMBL5098476

SCHEMBL5098476

C=CCOC(=O)c1cc(N)ccc1F

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
TSHR P16473 3/20 0.55
HSD17B10 Q99714 2/20 0.55
CYP3A4 P08684 1/20 0.54
KDM4E B2RXH2 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
GAA P10253 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SNCA P37840 1/20 0.38
POLB P06746 2/20 0.36
MAPK1 P28482 1/20 0.36
KAT6A Q92794 1/20 0.36
RHOA P61586 1/20 0.36
MAPT P10636 4/20 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
SCHEMBL5102454 0.86 CYP3A4 (0.64) ALDH1A1TSHRHSD17B10CYP3A4KDM4E
SCHEMBL1170618 0.83 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10CYP3A4KDM4E
SCHEMBL5098437 0.82 ALDH1A1 (0.55) ALDH1A1TSHRHSD17B10CYP3A4KDM4E
SCHEMBL5095303 0.82 ALDH1A1 (0.55) ALDH1A1TSHRHSD17B10CYP3A4KDM4E
SCHEMBL5108252 0.82 ALDH1A1 (0.55) ALDH1A1TSHRHSD17B10CYP3A4KDM4E
SCHEMBL8106325 0.80 GAA (0.57) ALDH1A1TSHRHSD17B10CYP3A4KDM4E
SCHEMBL5108089 0.80 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10CYP3A4KDM4E
SCHEMBL1496445 0.80 LMNA (0.54) ALDH1A1TSHRHSD17B10CYP3A4KDM4E
SCHEMBL5098692 0.79 ALDH1A1 (0.52) ALDH1A1TSHRHSD17B10CYP3A4KDM4E
SCHEMBL6218648 0.79 CYP3A4 (0.51) ALDH1A1TSHRHSD17B10CYP3A4KDM4E

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-7342005-B2 Antibiotic compounds ASTRAZENECA UK LIMITED (GB) 2008-03-11 US disclosed
US-7041836-B2 Antibiotic compounds ASTRAZENECA UK LIMITED (GB) 2006-05-09 US disclosed
US-20050209212-A1 Antibiotic compounds ASTRAZENECA UK LIMITED 2005-09-22 US disclosed
US-20030144264-A1 Antibiotic compounds ZENECA LIMITED 2003-07-31 US disclosed
US-6521612-B2 Antibiotic against grampositive, gramnegative bacteria ZENECA LTD. (GB) 2003-02-18 US disclosed
US-20020042408-A1 Antibiotic compounds ZENECA LIMITED 2002-04-11 US disclosed
US-6187804-B1 Antibiotic compounds ZENECA LIMITED (GB) 2001-02-13 US disclosed
US-5856321-A PREPARATION OF CARBAPENEMS ZENECA LIMITED (GB) 1999-01-05 US disclosed
EP-0579826-B1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LTD (GB) 1998-11-11 EP disclosed
CN-1036006-C Antibiotic compounds ZENECA LTD (GB) 1997-10-01 CN disclosed
US-5652233-A CARBAPENICILLINS ZENECA LIMITED (GB) 1997-07-29 US disclosed
US-5478820-A Carbapenem deivatives; bactericides ZENECA LTD. (GB) 1995-12-26 US disclosed
EP-0579826-A1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LIMITED (GB) 1994-01-26 EP disclosed
CN-1079224-A Antifungal compound ZENECA LTD (GB) 1993-12-08 CN disclosed
WO-1993015078-A1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LIMITED (GB) 1993-08-05 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 (3 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-20050209212-A1 Antibiotic compounds NRDC, NPR3, NGLY1 ALDH1A1 3269/4885TSHR 3766/4885HSD17B10 477/4885
US-20020042408-A1 Antibiotic compounds NRDC, NGLY1, NR4A1 ALDH1A1 1382/4885TSHR 3965/4885HSD17B10 303/4885
US-20030144264-A1 Antibiotic compounds NRDC, NGLY1, NR4A1 ALDH1A1 1579/4885TSHR 4017/4885HSD17B10 381/4885

“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.