SCHEMBL2178392

SCHEMBL2178392

COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.72
CYP2C19 P33261 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
BRD4 O60885 1/20 0.59
POLB P06746 1/20 0.57
HTR6 P50406 2/20 0.56
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ALDH1A1 P00352 4/20 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
SCHEMBL30354951 0.91 LMNA (0.63) LMNACYP2C19SMN1; SMN2BRD4POLB
SCHEMBL29967251 0.85 POLB (0.64) LMNABRD4POLBHDAC3HDAC4
SCHEMBL29023895 0.85 POLB (0.64) LMNABRD4POLBHDAC3HDAC4
Sulfameter SCHEMBL79417 0.84 LMNA (1.00) LMNACYP2C19SMN1; SMN2POLBHTR6
Sulfameter SCHEMBL17593237 0.82 LMNA (0.97) LMNACYP2C19SMN1; SMN2HTR6MEN1
Sulfameter SCHEMBL27709233 0.82 LMNA (0.97) LMNACYP2C19SMN1; SMN2POLBHTR6
Sulfameter SCHEMBL11137116 0.82 LMNA (0.97) LMNACYP2C19SMN1; SMN2POLBHTR6
SCHEMBL2177411 0.82 NPC1 (0.56) LMNASMN1; SMN2BRD4POLBHDAC3
SCHEMBL11806863 0.81 LMNA (0.66) LMNACYP2C19SMN1; SMN2HTR6MEN1
SCHEMBL2179238 0.80 ALDH1A1 (0.65) LMNACYP2C19SMN1; SMN2POLBHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130022629-A1 Modulators of Immunoinhibitory Receptor PD-1, and Methods of Use Thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2013-01-24 US disclosed
US-20130022629-A1 Modulators of Immunoinhibitory Receptor PD-1, and Methods of Use Thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2013-01-24 US disclosed
WO-2011082400-A2 MODULATORS OF IMMUNOINHIBITORY RECEPTOR PD-1, AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-07-07 WO disclosed
WO-2011082400-A2 MODULATORS OF IMMUNOINHIBITORY RECEPTOR PD-1, AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-07-07 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 (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-20130022629-A1 Modulators of Immunoinhibitory Receptor PD-1, and Methods of Use Thereof CD274, PDCD1LG2, PDCD1 LMNA 4797/4885CYP2C19 2798/4885SMN1; SMN2 4661/4885

“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.