SCHEMBL17717005

SCHEMBL17717005

Fc1ccc(-c2csc3ncnc(Sc4nnnn4-c4ccccc4)c23)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 19/20 0.71
PIP4K2C Q8TBX8 14/20 0.71
PAX8 Q06710 5/20 0.71
KMT2A Q03164 4/20 0.71
TP53 P04637 3/20 0.71
MEN1 O00255 3/20 0.71
MITF O75030 3/20 0.71
MAPT P10636 3/20 0.71
L3MBTL1 Q9Y468 2/20 0.71
STAT3 P40763 1/20 0.71
STAT1 P42224 1/20 0.71
LMNA P02545 4/20 0.64
TSHR P16473 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
HSD17B10 Q99714 2/20 0.64
POLB P06746 1/20 0.64
MAPK1 P28482 2/20 0.58
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
HPGD P15428 2/20 0.58

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
SCHEMBL17717013 0.90 HTT (0.71) HTTPIP4K2CPAX8KMT2ATP53
SCHEMBL903164 0.78 HTT (1.00) HTTPIP4K2CPAX8KMT2ATP53
SCHEMBL903199 0.71 HTT (1.00) HTTPIP4K2CPAX8KMT2ATP53
SCHEMBL10202432 0.69 HTT (1.00) HTTPIP4K2CPAX8KMT2ATP53
SCHEMBL903178 0.68 HTT (1.00) HTTPIP4K2CPAX8KMT2ATP53
SCHEMBL11202055 0.67 ALDH1A1 (0.73) HTTKMT2ATP53MEN1MAPT
SCHEMBL903202 0.67 HTT (1.00) HTTPIP4K2CPAX8KMT2ATP53
SCHEMBL10202430 0.66 HTT (1.00) HTTPIP4K2CPAX8KMT2ATP53
SCHEMBL13527777 0.66 SMN1; SMN2 (0.68) HTTPIP4K2CPAX8KMT2ATP53
SCHEMBL6663303 0.66 SMN1; SMN2 (0.68) HTTPIP4K2CPAX8KMT2ATP53

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
US-20170273954-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS THE UNIVERSITY OF CHICAGO (US) 2017-09-28 US disclosed
US-20170273954-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS THE UNIVERSITY OF CHICAGO (US) 2017-09-28 US disclosed
US-9675592-B2 Methods and compositions for bacteria infections THE UNIVERSITY OF CHICAGO (US) 2017-06-13 US disclosed
US-9675592-B2 Methods and compositions for bacteria infections THE UNIVERSITY OF CHICAGO (US) 2017-06-13 US disclosed
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF ILLINOIS (US) 2016-05-05 US disclosed
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF ILLINOIS (US) 2016-05-05 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-20170273954-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS SPOUT1, OXA1L, VSIR HTT 4354/4885PIP4K2C 4298/4885PAX8 351/4885
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS SPOUT1, OXA1L, VSIR HTT 4354/4885PIP4K2C 4298/4885PAX8 351/4885

“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.