SCHEMBL19170793

SCHEMBL19170793

CC(=O)C(CCCNC(N)=O)NC(=O)CCN

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ C3AR1 Q16581 1/20 0.44
▸ NMT2 O60551 1/20 0.39
▸ NMT1 P30419 1/20 0.39
▸ SIRT6 Q8N6T7 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ TLR2 O60603 1/20 0.39
▸ NOD1 Q9Y239 3/20 0.38
▸ CHRNB2 P17787 2/20 0.37
▸ CHRNB4 P30926 2/20 0.37
▸ CHRNA3 P32297 2/20 0.37
▸ CHRNA4 P43681 2/20 0.37
▸ ALB P02768 1/20 0.37
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ SLC6A5 Q9Y345 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ SIRT5 Q9NXA8 1/20 0.36
▸ CHRND Q07001 3/20 0.36
▸ CHRNA1 P02708 1/20 0.36
▸ CHRNG P07510 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
SCHEMBL17860192 0.89 NMT2 (0.40) C3AR1NMT2NMT1SIRT6SIRT1
SCHEMBL13176786 0.82 SLC6A5 (0.49) NMT2NMT1SIRT6SIRT1TLR2
SCHEMBL18051173 0.82 C3AR1 (0.41) C3AR1SIRT6SIRT1TLR2NOD1
SCHEMBL20375713 0.82 C3AR1 (0.41) C3AR1SIRT6SIRT1TLR2NOD1
SCHEMBL20793387 0.82 C3AR1 (0.41) C3AR1SIRT6SIRT1TLR2NOD1
SCHEMBL12740720 0.79 BMP1 (0.38) NOD1SLC6A5POLB
SCHEMBL24831973 0.78 ITGB3 (0.43) C3AR1NMT2NMT1SIRT6SIRT1
SCHEMBL12250885 0.78 SIRT6 (0.47) SIRT6SIRT1TLR2NOD1CHRNB2
SCHEMBL19203408 0.77 SIRT5 (0.41) C3AR1SIRT6SIRT1TLR2NOD1
SCHEMBL10441955 0.77 C3AR1 (0.38) C3AR1SIRT6SIRT1ALBCTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9950076-B2 Maytansinoid derivatives, conjugates thereof, and methods of use REGENERON PHARMACEUTICALS, INC. (US) 2018-04-24 — — US disclosed
US-20170209591-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. 2017-07-27 — — 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 (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-20170209591-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE HNMT, SLC10A1, SLC10A2 C3AR1 419/4885NMT2 544/4885NMT1 740/4885

“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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