SCHEMBL22703573

SCHEMBL22703573

CC(S)C(=O)c1ccc(Nc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ AKR1C3 P42330 1/20 0.54
▸ DDX3X O00571 1/20 0.52
▸ NPC1 O15118 10/20 0.50
▸ RAB9A P51151 10/20 0.50
▸ PKM P14618 5/20 0.50
▸ KLF5 Q13887 3/20 0.50
▸ OPRK1 P41145 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ MAOB P27338 1/20 0.48
▸ ADORA2A P29274 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ SCD O00767 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ PDE10A Q9Y233 1/20 0.46

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
SCHEMBL13002089 0.90 MEN1 (0.58) MEN1KMT2AAKR1C3DDX3XNPC1
SCHEMBL13058906 0.83 MEN1 (0.62) MEN1KMT2AAKR1C3DDX3XNPC1
SCHEMBL3767781 0.81 AKR1C3 (0.73) MEN1KMT2AAKR1C3DDX3XNPC1
SCHEMBL20685426 0.81 RAB9A (0.64) MEN1KMT2AAKR1C3DDX3XNPC1
SCHEMBL17054445 0.80 MEN1 (0.67) MEN1KMT2AAKR1C3DDX3XNPC1
SCHEMBL18473152 0.80 MEN1 (0.58) MEN1KMT2AAKR1C3DDX3XNPC1
SCHEMBL3774292 0.79 MEN1 (0.57) MEN1KMT2AAKR1C3DDX3XNPC1
SCHEMBL13058945 0.79 MEN1 (0.57) MEN1KMT2AAKR1C3DDX3XNPC1
SCHEMBL20685429 0.78 LMNA (0.73) MEN1KMT2AAKR1C3DDX3XNPC1
SCHEMBL13002096 0.78 MEN1 (0.56) MEN1KMT2AAKR1C3DDX3XNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200369723-A1 LLP2A-BISPHOSPHONATE CONJUGATES FOR OSTEOPOROSIS TREATMENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-11-26 — — 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-20200369723-A1 LLP2A-BISPHOSPHONATE CONJUGATES FOR OSTEOPOROSIS TREATMENT LCP1, BST2, ITGA2B MEN1 1824/4885KMT2A 950/4885AKR1C3 3922/4885

“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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