SCHEMBL1686982

SCHEMBL1686982

O=C(O)[C@H]1CSC(c2ccccc2O)=N1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 10/20 0.76
GPR35 Q9HC97 1/20 0.47
HTR1D P28221 1/20 0.46
HTR7 P34969 1/20 0.46
HTR3A P46098 1/20 0.46
HTR2C P28335 2/20 0.39
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
BCL2L1 Q07817 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL30608416 1.00 HTR2B (0.76) HTR2BGPR35HTR1DHTR7HTR3A
SCHEMBL1534272 1.00 HTR2B (0.76) HTR2BGPR35HTR1DHTR7HTR3A
SCHEMBL26117247 1.00 HTR2B (0.76) HTR2BGPR35HTR1DHTR7HTR3A
SCHEMBL11050644 0.98 HTR2B (0.74) HTR2BGPR35HTR1DHTR7HTR3A
SCHEMBL15602812 0.88 HTR2B (0.59) HTR2BGPR35HTR1DHTR7HTR3A
SCHEMBL15602915 0.88 HTR2B (0.59) HTR2BGPR35HTR1DHTR7HTR3A
Pulicatins G SCHEMBL12469063 0.86 HTR2B (1.00) HTR2BGPR35HTR1DHTR7HTR3A
SCHEMBL11925403 0.86 HTR2B (0.74) HTR2BGPR35HTR1DHTR7HTR3A
SCHEMBL3993242 0.86 HTR2B (0.74) HTR2BGPR35HTR1DHTR7HTR3A
SCHEMBL3993320 0.86 HTR2B (0.74) HTR2BGPR35HTR1DHTR7HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250197388-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY BOWEL DISEASE EMPRESS THERAPEUTICS, INC. 2025-06-19 US disclosed
WO-2023192388-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY BOWEL DISEASE FLAGSHIP PIONEERING INNOVATIONS VI, LLC (US) 2023-10-05 WO disclosed
WO-2023192388-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY BOWEL DISEASE FLAGSHIP PIONEERING INNOVATIONS VI, LLC (US) 2023-10-05 WO disclosed
US-9346799-B2 Useful combinations of monobactam antibiotics with beta-lactamase inhibitors BASILEA PHARMACEUTICALS AG (CH) 2016-05-24 US disclosed
US-20160122320-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2016-05-05 US disclosed
US-20150031662-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2015-01-29 US disclosed
US-8901293-B2 Useful combinations of monobactam antibiotics with beta-lactamase inhibitors BASILEA PHARMACEUTICA AG (CH) 2014-12-02 US disclosed
EP-2484680-B1 Useful Combinations of Monobactam Antibiotics with beta-Lac-tamase Inhibitors BASILEA PHARMACEUTICA AG (CH) 2013-06-26 EP disclosed
EP-2484680-A1 Useful Combinations of Monobactam Antibiotics with beta-Lac-tamase Inhibitors Basilea Pharmaceutica AG (CH) 2012-08-08 EP disclosed
US-20120184586-A1 DESFERRITHIOCIN POLYETHER ANALOGUES AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-07-19 US disclosed
EP-1965798-B1 USEFUL MONOBACTAM ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2011-10-19 EP disclosed
EP-2308874-A1 Useful beta-lactamase inhibitors Basilea Pharmaceutica AG (CH) 2011-04-13 EP disclosed
US-20100137346-A1 DESFERRITHIOCIN ANALOGUE ACTINIDE DECORPORATION AGENTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-06-03 US disclosed
US-20100056478-A1 Useful Combinations of Monobactam Antibiotics With Beta-Lactamase Inhibitors BASILEA PHARMACEUTICA AG (CH) 2010-03-04 US disclosed
EP-2101764-A2 DESFERRITHIOCIN ANALOGUE ACTINIDE DECORPORATION AGENTS UNIVERSITY OF FLORIDA (US) 2009-09-23 EP disclosed
WO-2008130395-A2 DESFERRITHIOCIN ANALOGUE ACTINIDE DECORPORATION AGENTS UNIVERSITY OF FLORIDA (US) 2008-10-30 WO disclosed
EP-1965798-A2 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS Basilea Pharmaceutica AG (CH) 2008-09-10 EP disclosed
WO-2007065288-A2 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2007-06-14 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 (6 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-20150031662-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS MGAM, MGAM2, B2M HTR2B 4705/4885GPR35 4132/4885HTR1D 4829/4885
US-20120184586-A1 DESFERRITHIOCIN POLYETHER ANALOGUES AND USES THEREOF TFRC, FTH1, TTPA HTR2B 4643/4885GPR35 4414/4885HTR1D 4749/4885
US-20250197388-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY BOWEL DISEASE SI, VIP, APC HTR2B 2431/4885GPR35 1704/4885HTR1D 3353/4885
US-20160122320-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS MGAM, MGAM2, B2M HTR2B 4705/4885GPR35 4132/4885HTR1D 4829/4885
US-20100137346-A1 DESFERRITHIOCIN ANALOGUE ACTINIDE DECORPORATION AGENTS TFRC, SLC40A1, FIBP HTR2B 3077/4885GPR35 4449/4885HTR1D 3258/4885
US-20100056478-A1 Useful Combinations of Monobactam Antibiotics With Beta-Lactamase Inhibitors MGAM, MGAM2, B2M HTR2B 4771/4885GPR35 4157/4885HTR1D 4858/4885

“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.