SCHEMBL2963809

SCHEMBL2963809

CC(Oc1ccccc1)C([NH])=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
PKM P14618 1/20 0.56
CYP2C19 P33261 1/20 0.56
HPGD P15428 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
POLB P06746 2/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
HTT P42858 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 1/20 0.45
ALPL P05186 1/20 0.45

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
SCHEMBL473828 0.83 CYP1A2 (0.78) GAACYP1A2CYP2C9PKMCYP2C19
SCHEMBL43054 0.83 CYP1A2 (0.78) GAACYP1A2CYP2C9PKMCYP2C19
SCHEMBL127395 0.83 CYP1A2 (0.78) GAACYP1A2CYP2C9PKMCYP2C19
Benzene SCHEMBL27779381 0.83 CYP1A2 (0.78) GAACYP1A2CYP2C9PKMCYP2C19
SCHEMBL19725364 0.81 GAA (0.58) GAACYP1A2CYP2C9PKMCYP2C19
SCHEMBL9900712 0.81 GAA (0.58) GAACYP1A2CYP2C9PKMCYP2C19
Hydrochloric Acid SCHEMBL8691716 0.81 CYP1A2 (0.75) GAACYP1A2CYP2C9PKMCYP2C19
SCHEMBL18205114 0.81 CYP1A2 (0.75) GAACYP1A2CYP2C9PKMCYP2C19
Hydrochloric Acid SCHEMBL1961683 0.81 CYP1A2 (0.75) GAACYP1A2CYP2C9PKMCYP2C19
Hydrochloric Acid SCHEMBL8691488 0.81 CYP1A2 (0.75) GAACYP1A2CYP2C9PKMCYP2C19

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-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US claimed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US claimed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP claimed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP claimed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US claimed
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 WO claimed
US-4407815-A AMINO ACID DERIVATIVE ANTIBIOTICS BEECHAM GROUP LIMITED (GB) 1983-10-04 US claimed
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US disclosed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 US disclosed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
EP-0034443-A2 Beta-lactam antibacterial compounds, their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1981-08-26 EP disclosed
US-4271305-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1981-06-02 US disclosed
EP-0028497-A1 Beta-lactam antibiotics, their preparation and their use in pharmaceutical compositions BEECHAM GROUP PLC (GB) 1981-05-13 EP disclosed
US-4237217-A IN WHICH COUPLING POSITION IS SUBSTITUTED WITH A SULFONAMIDO GROUP FUJI PHOTO FILM CO., LTD. (JP) 1980-12-02 US disclosed
US-4226986-A 7-ACYLAMINO-3-HYDROXY-3-CEPHEM COMPOUND, TRIARYL PHOSPHITE DIHALIDE ELI LILLY AND COMPANY (US) 1980-10-07 US disclosed
US-4223133-A USING A TRIARYL PHOSPHITE-HALOGEN COMPLEX ELI LILLY AND COMPANY (US) 1980-09-16 US disclosed
US-4211702-A TRIARYLPHOSPHITE-HALOGEN COMPLEX HALOGENATING AGENT ELI LILLY AND COMPANY (US) 1980-07-08 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 (2 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-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 GAA 504/4885CYP1A2 877/4885CYP2C9 738/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 GAA 504/4885CYP1A2 877/4885CYP2C9 738/4885

“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.