SCHEMBL8999130

SCHEMBL8999130

CNC(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 1.00
LMNA P02545 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
MEN1 O00255 1/20 0.71
KMT2A Q03164 1/20 0.71
AKR1C3 P42330 1/20 0.61
AKR1C1 Q04828 1/20 0.61
TNFSF11 O14788 3/20 0.58
TNF P01375 5/20 0.58
HTR6 P50406 6/20 0.55
ALOX5 P09917 2/20 0.55
PTGS2 P35354 1/20 0.55
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51

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
SCHEMBL13485750 0.87 PLK1 (0.78) PLK1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL8998767 0.85 PLK1 (0.74) PLK1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL8999103 0.85 PLK1 (0.74) PLK1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL949716 0.84 LMNA (1.00) PLK1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL30393652 0.84 LMNA (1.00) PLK1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL948989 0.84 AKR1C3 (0.83) PLK1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL2886421 0.83 KMT2A (1.00) PLK1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4926276 0.81 LMNA (0.74) PLK1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL8998784 0.81 LMNA (0.74) PLK1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL27622290 0.81 LMNA (0.72) PLK1LMNASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160011195-A1 Method of Forming Fragment Ligated Inhibitors UNIVERSITY OF SOUTH CAROLINA 2016-01-14 US disclosed
US-20160011195-A1 Method of Forming Fragment Ligated Inhibitors UNIVERSITY OF SOUTH CAROLINA 2016-01-14 US disclosed
US-20150315555-A1 Fragment Ligated Inhibitors Selective for the Polo Box Domain of PLK1 UNIVERSITY OF SOUTH CAROLINA 2015-11-05 US disclosed
US-20150315555-A1 Fragment Ligated Inhibitors Selective for the Polo Box Domain of PLK1 UNIVERSITY OF SOUTH CAROLINA 2015-11-05 US disclosed
US-9175357-B2 Fragment ligated inhibitors selective for the polo box domain of PLK1 UNIVERSITY OF SOUTH CAROLINA (US) 2015-11-03 US disclosed
US-9175357-B2 Fragment ligated inhibitors selective for the polo box domain of PLK1 UNIVERSITY OF SOUTH CAROLINA (US) 2015-11-03 US disclosed
US-20120202970-A1 Fragment Ligated Inhibitors Selective for the Polo Box Domain of PLK1 UNIVERSITY OF SOUTH CAROLINA (US) 2012-08-09 US disclosed
US-5556874-A ENZYME INHIBITORS AS ANTICARCINOGENIC AGENTS WARNER LAMBERT COMPANY (US) 1996-09-17 US disclosed
US-5464861-A Anticarcinogenic agents WARNER-LAMBERT (US) 1995-11-07 US disclosed
EP-0654024-A1 2-THIOINDOLES (SELENOINDOLES) AND RELATED DISULFIDES (SELENIDES) WHICH INHIBIT PROTEIN TYROSINE KINASES AND WHICH HAVE ANTITUMOR PROPERTIES WARNER-LAMBERT COMPANY (US) 1995-05-24 EP disclosed
WO-1994003427-A1 2-THIOINDOLES (SELENOINDOLES) AND RELATED DISULFIDES (SELENIDES) WHICH INHIBIT PROTEIN TYROSINE KINASES AND WHICH HAVE ANTITUMOR PROPERTIES WARNER-LAMBERT COMPANY (US) 1994-02-17 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 (3 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-20150315555-A1 Fragment Ligated Inhibitors Selective for the Polo Box Domain of PLK1 PLK1, POLD1, CTDSP1 PLK1 1/4885LMNA 2554/4885SMN1; SMN2 3270/4885
US-20160011195-A1 Method of Forming Fragment Ligated Inhibitors PLK1, POLD1, POLR1E PLK1 1/4885LMNA 2454/4885SMN1; SMN2 3394/4885
US-20120202970-A1 Fragment Ligated Inhibitors Selective for the Polo Box Domain of PLK1 PLK1, POLD1, CTDSP1 PLK1 1/4885LMNA 2554/4885SMN1; SMN2 3270/4885

“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.