SCHEMBL11307167

SCHEMBL11307167

CCSSc1nc2ccccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TXN P10599 2/20 1.00
BCHE P06276 1/20 0.59
RAB9A P51151 4/20 0.58
NPC1 O15118 3/20 0.58
POLB P06746 2/20 0.56
SMN1; SMN2 Q16637 4/20 0.55
KMT2A Q03164 3/20 0.55
AR P10275 2/20 0.55
MEN1 O00255 2/20 0.55
EPHX2 P34913 1/20 0.53
HPGD P15428 2/20 0.53
DDAH1 O94760 1/20 0.51
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL29651407 0.87 TXN (0.77) TXNBCHERAB9ANPC1POLB
SCHEMBL28782649 0.87 TXN (0.77) TXNBCHERAB9ANPC1POLB
SCHEMBL11823551 0.86 TXN (0.75) TXNBCHERAB9ANPC1POLB
SCHEMBL159798 0.83 TXN (0.72) TXNBCHERAB9ANPC1POLB
SCHEMBL7998438 0.82 BCHE (0.73) TXNBCHERAB9ANPC1POLB
SCHEMBL31175737 0.82 BCHE (0.73) TXNBCHERAB9ANPC1POLB
SCHEMBL1605263 0.82 TXN (0.68) TXNBCHERAB9ANPC1POLB
SCHEMBL1604294 0.82 TXN (0.68) TXNBCHERAB9ANPC1POLB
SCHEMBL1119596 0.82 TXN (0.68) TXNBCHERAB9ANPC1POLB
SCHEMBL3688773 0.81 TXN (0.70) TXNBCHERAB9ANPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10398682-B2 Methods and compositions to prevent or treat bacterial infections THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-09-03 US claimed
WO-2015009699-A1 METHODS AND COMPOSITIONS TO PREVENT OR TREAT BACTERIAL INFECTIONS KETTER PATRICK (US) 2015-01-22 WO claimed
JP-56120737-A None JP disclosed
US-11129811-B2 Methods and compositions to prevent or treat bacterial infections BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-09-28 US disclosed
US-10478485-B2 Methods and compositions to prevent or treat bacterial infections THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-11-19 US disclosed
US-10398682-B2 Methods and compositions to prevent or treat bacterial infections THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-09-03 US disclosed
US-20180193442-A1 METHODS AND COMPOSITIONS TO PREVENT OR TREAT BACTERIAL INFECTIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-07-12 US disclosed
US-20170266198-A1 MODULATION OF TISSUE TRANSGLUTAMINASE ACTIVATION IN DISEASE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2017-09-21 US disclosed
US-20170266198-A1 MODULATION OF TISSUE TRANSGLUTAMINASE ACTIVATION IN DISEASE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2017-09-21 US disclosed
WO-2017004545-A1 METHODS AND COMPOSITIONS TO PREVENT OR TREAT BACTERIAL INFECTIONS KETTER PATRICK (US) 2017-01-05 WO disclosed
US-20160151333-A1 METHODS AND COMPOSITIONS TO PREVENT OR TREAT BACTERIAL INFECTIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2016-06-02 US disclosed
WO-2015009699-A1 METHODS AND COMPOSITIONS TO PREVENT OR TREAT BACTERIAL INFECTIONS KETTER PATRICK (US) 2015-01-22 WO disclosed
US-20140322278-A1 Modulation of Tissue Transglutaminase Activation in Disease THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-10-30 US disclosed
US-20140322278-A1 Modulation of Tissue Transglutaminase Activation in Disease THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-10-30 US disclosed
WO-2012177640-A2 MODULATION OF TISSUE TRANSGLUTAMINASE ACTIVATION IN DISEASE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-12-27 WO disclosed
JP-S56120737-A PREVENTION OF SCORCHING OF HALOGEN-CONTAINING POLYMER RUBBER SANSHIN KAGAKU KOGYO KK 1981-09-22 JP 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-20140322278-A1 Modulation of Tissue Transglutaminase Activation in Disease SI, TGM2, DSG1 TXN 1498/4885BCHE 1014/4885RAB9A 1481/4885
US-20170266198-A1 MODULATION OF TISSUE TRANSGLUTAMINASE ACTIVATION IN DISEASE SI, TGM2, DSG1 TXN 1498/4885BCHE 1014/4885RAB9A 1481/4885

“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.