SCHEMBL19170785

SCHEMBL19170785

CCC(C)(C)C(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=S)NCCCCN1C(=O)C=CC1=O)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SIRT5 Q9NXA8 1/20 0.33
▸ FURIN P09958 3/20 0.31
▸ AKT1 P31749 1/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ OPRD1 P41143 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ FAP Q12884 1/20 0.31
▸ SIRT2 Q8IXJ6 1/20 0.30

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
SCHEMBL21534475 0.92 SIRT5 (0.34) SIRT5FURINAKT1OPRM1OPRD1
SCHEMBL20340684 0.88 FAP (0.37) FURINFAP
SCHEMBL19170696 0.88 SIRT5 (0.35) SIRT5FURINOPRM1OPRD1OPRK1
SCHEMBL21322509 0.88 SIRT5 (0.39) SIRT5FURINOPRM1OPRD1OPRK1
SCHEMBL19170705 0.82 PTGS1 (0.34) FURINAKT1FAPSIRT2
SCHEMBL22267878 0.80 FAP (0.37) FURINFAP
SCHEMBL18909025 0.80 FAP (0.37) FURINFAP
SCHEMBL22694922 0.80 FAP (0.37) FURINFAP
SCHEMBL20935173 0.79 ELANE (0.34) FURINAKT1FAP
SCHEMBL24780979 0.77 NMT1 (0.44) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11446389-B2 Maytansinoid derivatives, conjugates thereof, and methods of use REGENERON PHARMACEUTICALS, INC. (US) 2022-09-20 — — US disclosed
US-20200121806-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. 2020-04-23 — — US disclosed
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 (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-20170209591-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE HNMT, SLC10A1, SLC10A2 SIRT5 2864/4885FURIN 1025/4885AKT1 1745/4885
US-20200121806-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE HNMT, SLC10A1, SLC10A2 SIRT5 2864/4885FURIN 1025/4885AKT1 1745/4885
US-11446389-B2 Maytansinoid derivatives, conjugates thereof, and methods of use HNMT, SLC10A1, SLC10A2 SIRT5 2864/4885FURIN 1025/4885AKT1 1745/4885

“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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