SCHEMBL6181698

SCHEMBL6181698

O=C(O)C(=O)c1cnc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ NPC1 O15118 5/20 0.44
▸ RAB9A P51151 5/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MAPK13 O15264 5/20 0.43
▸ MAPK12 P53778 5/20 0.43
▸ MAPK11 Q15759 5/20 0.43
▸ MAPK14 Q16539 5/20 0.43
▸ MAPT P10636 3/20 0.41
▸ CCNE1 P24864 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ PLA2G1B P04054 1/20 0.39

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
SCHEMBL13467941 0.85 CCNE1 (0.56) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL13467940 0.83 NPC1 (0.46) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL15100311 0.82 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL5025993 0.75 SCD (0.45) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL19458500 0.75 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL27518079 0.73 VNN1 (0.40) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL5025395 0.73 CDK2 (0.48) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL27518243 0.73 KCNN4 (0.35) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL5521898 0.72 LCK (0.72) MAPK13MAPK12MAPK11MAPK14
SCHEMBL1686728 0.71 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170298057-A1 DEUTERATED O-SULFATED BETA LACTAM HYDROXAMIC ACIDS AND DEUTERATED N- SULFATED BETA LACTAMS ARIXA PHARMACEUTICALS, INC. 2017-10-19 — — US disclosed
WO-2017180794-A1 DEUTERATED O-SULFATED BETA-LACTAM HYDROXAMIC ACIDS AND DEUTERATED N-SULFATED BETA-LACTAMS SKYLINE ANTIINFECTIVES, INC. (US) 2017-10-19 — — WO disclosed
US-9630977-B2 Cephalosporin derivatives and pharmaceutical compositions thereof LEGOCHEM BIOSCIENCES, INC. (KR) 2017-04-25 — — US disclosed
US-20130178455-A1 NOVEL CEPHALOSPORIN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF LEGOCHEM BIOSCIENCES, INC (US) 2013-07-11 — — US disclosed
US-6916803-B2 3-(Heteroaryl acetamido)-2-oxo-azetidine-1-sulfonic acids derivatives as antibacterial agents PANTHERIX, LTD. (GB) 2005-07-12 — — US disclosed
EP-1322648-B1 3-(HETEROARYL ACETAMIDO)-2-OXO-AZETIDINE-1-SULFONIC ACIDS DERIVATIVES AS ANTIBACTERIAL AGENTS PANTHERIX LTD (GB) 2005-06-29 — — EP disclosed
US-20040019203-A1 3-(Heteroaryl acetamido)-2-oxo-azetidine-1-sulfonic acids derivatives as antibacterial agents REMPEX PHARMACEUTICALS, INC. 2004-01-29 — — US disclosed
EP-1322648-A1 3-(HETEROARYL ACETAMIDO)-2-OXO-AZETIDINE-1-SULFONIC ACIDS DERIVATIVES AS ANTIBACTERIAL AGENTS Pantherix Limited (GB) 2003-07-02 — — EP disclosed
WO-2002022613-A1 3-(HETEROARYL ACETAMIDO)-2-OXO-AZETIDINE-1-SULFONIC ACIDS DERIVATIVES AS ANTIBACTERIAL AGENTS PANTHERIX LIMITED (GB) 2002-03-21 — — 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-20170298057-A1 DEUTERATED O-SULFATED BETA LACTAM HYDROXAMIC ACIDS AND DEUTERATED N- SULFATED BETA LACTAMS DDOST, LBR, STS ALDH1A1 3218/4885SMN1; SMN2 2168/4885KDM4E 4367/4885
US-20040019203-A1 3-(Heteroaryl acetamido)-2-oxo-azetidine-1-sulfonic acids derivatives as antibacterial agents Q6ZSR9, SOS1, SOS2 ALDH1A1 988/4885SMN1; SMN2 815/4885KDM4E 4822/4885
US-20130178455-A1 NOVEL CEPHALOSPORIN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF CSDE1, CELA1, ABCC1 ALDH1A1 1077/4885SMN1; SMN2 4372/4885KDM4E 2252/4885

“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.

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