SCHEMBL10100455

SCHEMBL10100455

Cc1ccc(S(=O)(=O)C(NCC(=O)c2ccccc2)C2CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 6/20 0.45
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
TSHR P16473 2/20 0.41
HTT P42858 2/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP3A4 P08684 1/20 0.41
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSD11B1 P28845 1/20 0.40
POLB P06746 1/20 0.40
HTR1E P28566 1/20 0.40
S1PR3 Q99500 1/20 0.40

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
SCHEMBL10100452 0.99 RECQL (0.47) RECQLRAB9AMEN1KMT2ANPC1
SCHEMBL10100441 0.78 RECQL (0.55) RECQLRAB9AMEN1KMT2ANPC1
SCHEMBL10100459 0.76 RECQL (0.52) RECQLRAB9AMEN1KMT2ANPC1
SCHEMBL15167078 0.76 ALDH1A1 (0.54) ALDH1A1LMNASMN1; SMN2MAPTADORA3
SCHEMBL10100448 0.74 RECQL (0.50) RECQLRAB9AMEN1KMT2ANPC1
SCHEMBL1531671 0.73 EPHX2 (0.45) RAB9AMEN1KMT2AALDH1A1LMNA
SCHEMBL6345512 0.72 RAB9A (0.51) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL6345508 0.72 RAB9A (0.51) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL10100444 0.71 RECQL (0.47) RECQLRAB9AMEN1KMT2ANPC1
SCHEMBL22499173 0.70 ADORA3 (0.43) ALDH1A1LMNAADORA3TSHRHTT

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-8097750-B2 Highly enantioselective, converting aromatic and aliphatic aldehydes into optically active aryl and alkyl beta -amino acids BRANDEIS UNIVERSITY (US) 2012-01-17 US disclosed
US-20080228000-A1 Cinchona Alkaloid-Catalyzed Asymmetric Mannich Reactions BRANDEIS UNIVERSITY (US) 2008-09-18 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-20080228000-A1 Cinchona Alkaloid-Catalyzed Asymmetric Mannich Reactions MANBA, MAN2A1, ASNS RECQL 3818/4885RAB9A 520/4885MEN1 59/4885

“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.