SCHEMBL18179852

SCHEMBL18179852

CCNC(=O)C(C)CSC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
MME P08473 2/20 0.38
PKM P14618 1/20 0.36
USP2 O75604 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ACE P12821 2/20 0.33
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32

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
SCHEMBL15948441 0.83 TSHR (0.38) TSHRMMEPKMUSP2MMP1
SCHEMBL17017541 0.81 RNPEP (0.39) TSHRPKMALDH1A1LMNAMAPT
SCHEMBL3950949 0.78
SCHEMBL5988190 0.78
SCHEMBL13575651 0.78
SCHEMBL21728716 0.77 DPP7 (0.41) TSHRPKMUSP2MMP1MMP2
SCHEMBL11112403 0.77 DPP7 (0.41) TSHRPKMUSP2MMP1MMP2
SCHEMBL25505591 0.77 MME (0.35) TSHRMMEUSP2ACEALDH1A1
SCHEMBL24072795 0.76
SCHEMBL3465709 0.76

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
CN-110506038-B Pesticidal compounds 巴斯夫欧洲公司 2023-11-24 CN disclosed
US-20160311853-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2016-10-27 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-20160311853-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF CD47, NGLY1, VIP TSHR 2353/4885MME 448/4885PKM 4081/4885

“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.