SCHEMBL19137472

SCHEMBL19137472

C[C@H](CSCCC#N)NC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ MTNR1A P48039 3/20 0.32
▸ MTNR1B P49286 3/20 0.32
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CTSL P07711 2/20 0.30
▸ CTSB P07858 1/20 0.30
▸ CTSS P25774 1/20 0.30
▸ CTSK P43235 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
SCHEMBL19137473 1.00 ALDH1A1 (0.35) ALDH1A1POLBMTNR1AMTNR1BTSHR
SCHEMBL19137606 0.82 MMP1 (0.37) ALDH1A1MTNR1AMTNR1BCTSLCTSB
SCHEMBL19137604 0.82 MMP1 (0.37) ALDH1A1MTNR1AMTNR1BCTSLCTSB
SCHEMBL23073981 0.79 CTSS (0.48) CTSLCTSBCTSSCTSK
SCHEMBL19170264 0.79 CTSS (0.48) CTSLCTSBCTSSCTSK
SCHEMBL19183495 0.78 METAP2 (0.44) ALDH1A1POLBMTNR1AMTNR1B
SCHEMBL19136566 0.77 MTNR1A (0.34) MTNR1AMTNR1B
SCHEMBL19136563 0.77 MTNR1A (0.34) MTNR1AMTNR1B
SCHEMBL3060277 0.74 MTNR1A (0.35) MTNR1AMTNR1B
SCHEMBL19137510 0.74 HPGD (0.36) ALDH1A1POLBMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3407720-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-03-10 — — EP disclosed
US-10681908-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2020-06-16 — — US disclosed
US-20170208806-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 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 (2 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-10681908-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MSMO1 ALDH1A1 448/4885POLB 3636/4885MTNR1A 2214/4885
US-20170208806-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MSMO1 ALDH1A1 448/4885POLB 3636/4885MTNR1A 2214/4885

“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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