SCHEMBL21033280

SCHEMBL21033280

COC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.60
ALDH1A1 P00352 5/20 0.58
LMNA P02545 4/20 0.58
KMT2A Q03164 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MEN1 O00255 2/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 6/20 0.57
STAT3 P40763 1/20 0.56
CYP2C9 P11712 1/20 0.56
POLB P06746 2/20 0.56
KDM4E B2RXH2 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
TP53 P04637 2/20 0.54

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
SCHEMBL21033277 0.88 MAPT (0.58) ALDH1A1KMT2AMEN1MAPTSTAT3
SCHEMBL31612502 0.84 MAPT (0.63) ALDH1A1LMNAKMT2ASMN1; SMN2MEN1
SCHEMBL29966020 0.81 LMNA (0.63) ALDH1A1LMNAKMT2ASMN1; SMN2GAA
SCHEMBL1287458 0.81 PSEN1 (0.61) ALDH1A1KMT2AMEN1MAPTSTAT3
SCHEMBL7229627 0.80 RAB9A (0.61) RAB9AALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL1278905 0.77 TAS2R14 (0.80)
SCHEMBL9302981 0.76 NR1H3 (0.61) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL14470257 0.76 ALDH1A1 (0.69) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL65856 0.76 SMN1; SMN2 (0.64) RAB9AALDH1A1LMNASMN1; SMN2GAA
SCHEMBL9081145 0.76 TDP1 (0.74) ALDH1A1KMT2AGAAMAPTCYP2C9

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
US-11485721-B2 Method for the metal-free preparation of a biaryl by a photosplicing reaction and their uses Leibniz-Institut für Naturstoff-Forschung und Infektionsbiologie e. V. Hans-Knöll-Institut (DE) 2022-11-01 US disclosed
US-20200339529-A1 METHOD FOR THE METAL-FREE PREPARATION OF A BIARYL BY A PHOTOSPLICING REACTION AND THEIR USES LEIBNIZ-INSTITUT FÜR NATURSTOFF-FORSCHUNG UND INFEKTIONSBIOLOGIE E.V. HANS-KNÖLL-INSTITUT (HKI) (DE) 2020-10-29 US disclosed
WO-2019101679-A1 METHOD FOR THE METAL-FREE PREPARATION OF A BIARYL BY A PHOTOSPLICING REACTION AND THEIR USES LEIBNIZ-INSTITUT FÜR NATURSTOFF-FORSCHUNG UND INFEKTIONSBIOLOGIE E.V. HANS-KNÖLL INSTITUT (HKI) (DE) 2019-05-31 WO 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-11485721-B2 Method for the metal-free preparation of a biaryl by a photosplicing reaction and their uses CBR3, POR, CYP2F1 RAB9A 2172/4885ALDH1A1 809/4885LMNA 944/4885
US-20200339529-A1 METHOD FOR THE METAL-FREE PREPARATION OF A BIARYL BY A PHOTOSPLICING REACTION AND THEIR USES CBR3, POR, CYP2F1 RAB9A 2172/4885ALDH1A1 809/4885LMNA 944/4885

“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.