SCHEMBL19170705

SCHEMBL19170705

CC(C)[C@H](NC(=S)CCCCCN1C(=O)C=CC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 4/20 0.34
▸ PTGS2 P35354 4/20 0.34
▸ FAP Q12884 3/20 0.33
▸ AKT1 P31749 1/20 0.31
▸ FURIN P09958 4/20 0.31
▸ SIRT2 Q8IXJ6 3/20 0.31
▸ SIRT1 Q96EB6 1/20 0.31
▸ ELANE P08246 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
SCHEMBL19170780 0.92 PTGS1 (0.32) PTGS1PTGS2FAP
SCHEMBL22694922 0.91 FAP (0.37) PTGS1PTGS2FAPFURINELANE
SCHEMBL18909025 0.91 FAP (0.37) PTGS1PTGS2FAPFURINELANE
SCHEMBL22267878 0.91 FAP (0.37) PTGS1PTGS2FAPFURINELANE
SCHEMBL21534475 0.90 SIRT5 (0.34) FAPAKT1FURINSIRT2SIRT1
SCHEMBL20935173 0.87 ELANE (0.34) FAPAKT1FURINELANE
SCHEMBL23436443 0.84 FAP (0.34) PTGS1PTGS2FAPFURIN
SCHEMBL22668644 0.84 FAP (0.34) PTGS1PTGS2FAPFURIN
SCHEMBL19681474 0.84 NPY5R (0.39) PTGS1PTGS2FAPAKT1
SCHEMBL20340684 0.84 FAP (0.37) PTGS1PTGS2FAPFURIN

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 PTGS1 738/4885PTGS2 1278/4885FAP 696/4885

“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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