SCHEMBL19010047

SCHEMBL19010047

COc1ccc([C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.55
ALDH1A1 P00352 5/20 0.52
POLB P06746 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 2/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TP53 P04637 1/20 0.49
KEAP1 Q14145 1/20 0.49
CA12 O43570 1/20 0.49
MMP2 P08253 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SLC1A3 P43003 1/20 0.48
SLC1A2 P43004 1/20 0.48
SLC1A1 P43005 1/20 0.48

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
SCHEMBL15871647 1.00 CNR1 (0.55) CNR1ALDH1A1POLBL3MBTL1MAPT
SCHEMBL15871417 0.90 ALDH1A1 (0.56) ALDH1A1L3MBTL1LMNASMN1; SMN2CA12
SCHEMBL27168770 0.88 ALDH1A1 (0.57) ALDH1A1L3MBTL1SMN1; SMN2CA12MMP2
SCHEMBL18980854 0.88 CNR1 (0.54) CNR1ALDH1A1RAB9ACA12MMP2
SCHEMBL18980703 0.88 CNR1 (0.54) CNR1ALDH1A1LMNATP53CA12
SCHEMBL18980705 0.88 CNR1 (0.54) CNR1ALDH1A1LMNATP53CA12
SCHEMBL1649686 0.85 TSHR (0.56) CNR1ALDH1A1POLBLMNACA12
SCHEMBL31513763 0.83 CNR1 (0.50) CNR1ALDH1A1POLBL3MBTL1MAPT
SCHEMBL18980585 0.83 ALDH1A1 (0.50) ALDH1A1L3MBTL1LMNATP53CA12
SCHEMBL29740753 0.83 MAPT (0.56) ALDH1A1MAPTLMNASMN1; SMN2TP53

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-20170173572-A1 CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-06-22 US disclosed
US-20170173572-A1 CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-06-22 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-20170173572-A1 CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS POF1B, FGFR1, COASY CNR1 2276/4885ALDH1A1 861/4885POLB 836/4885

“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.