SCHEMBL6884840

SCHEMBL6884840

[N-]=[N+]=C(C(N)=O)S(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.43
CA2 P00918 6/20 0.43
CA9 Q16790 5/20 0.43
CA12 O43570 3/20 0.43
CA4 P22748 3/20 0.43
CA14 Q9ULX7 2/20 0.43
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
PLA2G7 Q13093 1/20 0.43
CA13 Q8N1Q1 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 2/20 0.40
NPC1 O15118 1/20 0.40
S1PR2 O95136 1/20 0.40
LMNA P02545 1/20 0.40
PRNP P04156 1/20 0.40

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
SCHEMBL3975777 0.85 SMN1; SMN2 (0.42) CA1CA2CA9CA12CA4
SCHEMBL546386 0.80 CES2 (0.45) CA1CA2CA9CA4SMN1; SMN2
SCHEMBL13118694 0.77 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1TP53NPC1S1PR2
SCHEMBL563505 0.77 HSD11B1 (0.47) SMN1; SMN2ALDH1A1TP53NPC1S1PR2
SCHEMBL65095 0.74 SMN1; SMN2 (0.46) CA1CA2CA9CA12CA4
SCHEMBL9010850 0.74 CA2 (0.49) CA1CA2CA9CA4SMN1; SMN2
SCHEMBL9010789 0.74 MAOB (0.37) CA1CA2CA9CA12CA4
SCHEMBL21595092 0.74 ALDH1A1 (0.52) CA9CA12SMN1; SMN2ALDH1A1TP53
SCHEMBL8637821 0.74 KMT2A (0.53) CA1CA2CA9CA4SMN1; SMN2
SCHEMBL1089508 0.74 HSD11B1 (0.41) CA1CA2CA9CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10981922-B2 Synthesis of lactams G1 THERAPEUTICS, INC. 2021-04-20 US disclosed
US-20190119293-A1 Synthesis of Lactams G1 THERAPEUTICS, INC. 2019-04-25 US disclosed
US-10202392-B2 Synthesis of lactams G1 THERAPEUTICS, INC. 2019-02-12 US disclosed
US-20160257688-A1 Process for Synthesis of Lactams CHEMOGENICS BIOPHARMA 2016-09-08 US disclosed
WO-2015061407-A1 PROCESS FOR SYNTHESIS OF LACTAMS TAVARES FRANCIS XAVIER (US) 2015-04-30 WO disclosed
US-20150087831-A1 SYNTHESIS OF LACTAMS G1 THERAPEUTICS, INC. 2015-03-26 US disclosed
EP-2841417-A1 SYNTHESIS OF LACTAMS Tavares, Francis Xavier (US) 2015-03-04 EP disclosed
CN-104302620-A Synthesis of lactams TAVARES FRANCIS XAVIER 2015-01-21 CN disclosed
WO-2013163239-A1 SYNTHESIS OF LACTAMS TAVARES FRANCIS XAVIER (US) 2013-10-31 WO disclosed
US-6689890-B2 Efficient lactam synthesis UNIVERSITY OF SOUTH FLORIDA 2004-02-10 US disclosed
US-20030171599-A1 Efficient lactam synthesis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-09-11 US disclosed
US-20030004337-A1 Efficient lactam synthesis SOUTH FLORIDA, UNIVERSITY OF 2003-01-02 US disclosed
WO-2001083446-A1 EFFICIENT LACTAM SYNTHESIS UNIVERSITY OF SOUTH FLORIDA (US) 2001-11-08 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 (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-10981922-B2 Synthesis of lactams HAAO, AGL, GALNT10 CA1 268/4885CA2 445/4885CA9 98/4885
US-10202392-B2 Synthesis of lactams HAAO, AGL, GALNT10 CA1 268/4885CA2 445/4885CA9 98/4885
US-20150087831-A1 SYNTHESIS OF LACTAMS HAAO, AGL, GALNT10 CA1 268/4885CA2 445/4885CA9 98/4885
US-20030004337-A1 Efficient lactam synthesis COASY, RCE1, DHPS CA1 20/4885CA2 243/4885CA9 1375/4885
US-20030171599-A1 Efficient lactam synthesis COASY, APH1A, CIAPIN1 CA1 32/4885CA2 412/4885CA9 1923/4885
US-20160257688-A1 Process for Synthesis of Lactams AGL, HAAO, GALNT10 CA1 212/4885CA2 412/4885CA9 131/4885
US-20190119293-A1 Synthesis of Lactams HAAO, AGL, GALNT10 CA1 268/4885CA2 445/4885CA9 98/4885

“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.