SCHEMBL16077775

SCHEMBL16077775

CS(=O)(=O)c1nc2ccccc2nc1Cl

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RXFP1 Q9HBX9 5/20 0.45
ALDH1A1 P00352 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
KDM4E B2RXH2 4/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GLP1R P43220 9/20 0.44
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 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
SCHEMBL15412641 0.82 GLP1R (0.47) MEN1KMT2AALDH1A1KDM4EGLP1R
SCHEMBL6307043 0.80 GLP1R (0.68) GLP1R
SCHEMBL61762 0.80 TDP1 (0.54) TDP1MEN1KMT2ARXFP1ALDH1A1
SCHEMBL29714271 0.80 TDP1 (0.54) TDP1MEN1KMT2ARXFP1ALDH1A1
SCHEMBL3697579 0.80 TDP1 (0.54) TDP1MEN1KMT2ARXFP1ALDH1A1
SCHEMBL15412299 0.79 GLP1R (0.45) KMT2ARXFP1KDM4EGLP1R
Potassium Ion SCHEMBL3703885 0.78 TDP1 (0.52) TDP1MEN1KMT2ARXFP1ALDH1A1
SCHEMBL3694109 0.78 TDP1 (0.52) TDP1MEN1KMT2ARXFP1ALDH1A1
Lithium Ion SCHEMBL3694518 0.78 TDP1 (0.52) TDP1MEN1KMT2ARXFP1ALDH1A1
SCHEMBL3694520 0.78 TDP1 (0.52) TDP1MEN1KMT2ARXFP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970335-B1 MACROCYCLIC AND BICYCLIC INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES INC (US) 2019-05-08 EP disclosed
US-20170313745-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. 2017-11-02 US disclosed
US-9617310-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2017-04-11 US disclosed
US-9617310-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2017-04-11 US disclosed
US-20140274884-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. 2014-09-18 US disclosed
US-20140274884-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. 2014-09-18 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 (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-20140274884-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, LIPC TDP1 4537/4885MEN1 4156/4885KMT2A 4427/4885
US-20170313745-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, LIPC TDP1 4537/4885MEN1 4156/4885KMT2A 4427/4885

“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.