SCHEMBL173265

SCHEMBL173265

Nc1nnc(SSc2nnc(N)s2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 1.00
ALDH1A1 P00352 5/20 0.56
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
GLS O94925 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL17153800 0.97 FBP1 (0.94) FBP1ALDH1A1SMN1; SMN2GAAMAPK1
SCHEMBL750885 0.78
SCHEMBL173266 0.78
SCHEMBL9087747 0.78
SCHEMBL15362563 0.76 ALDH1A1 (0.68) FBP1ALDH1A1SMN1; SMN2GAAMAPK1
SCHEMBL28259234 0.76 FBP1 (0.61) FBP1ALDH1A1SMN1; SMN2GAAMAPK1
SCHEMBL11787926 0.73 FBP1 (0.55) FBP1ALDH1A1SMN1; SMN2GAAMAPK1
SCHEMBL65180 0.73
SCHEMBL6530544 0.73 ALDH1A1 (0.57) FBP1ALDH1A1GAAMAPK1MEN1
SCHEMBL94572 0.72

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10758569-B2 Heteroaryl disulfide compounds as allosteric effectors for increasing the oxygen-binding affinity of hemoglobin THE GENERAL HOSPITAL CORPORATION (US) 2020-09-01 US claimed
EP-3626707-A1 HETEROARYL DISULFIDE COMPOUNDS AS ALLOSTERIC EFFECTORS FOR INCREASING THE OXYGEN-BINDING AFFINITY OF HEMOGLOBIN The General Hospital Corporation (US) 2020-03-25 EP claimed
EP-3094619-B1 HETEROARYL DISULFIDE COMPOUNDS AS ALLOSTERIC EFFECTORS FOR INCREASING THE OXYGEN-BINDING AFFINITY OF HEMOGLOBIN MASSACHUSETTS GEN HOSPITAL (US) 2019-07-31 EP claimed
EP-3094619-A1 HETEROARYL DISULFIDE COMPOUNDS AS ALLOSTERIC EFFECTORS FOR INCREASING THE OXYGEN-BINDING AFFINITY OF HEMOGLOBIN The General Hospital Corporation (US) 2016-11-23 EP claimed
US-20160331782-A1 HETEROARYL DISULFIDE COMPOUNDS AS ALLOSTERIC EFFECTORS FOR INCREASING THE OXYGEN-BINDING AFFINITY OF HEMOGLOBIN THE GENERAL HOSPITAL CORPORATION 2016-11-17 US claimed
WO-2015106240-A1 HETEROARYL DISULFIDE COMPOUNDS AS ALLOSTERIC EFFECTORS FOR INCREASING THE OXYGEN-BINDING AFFINITY OF HEMOGLOBIN THE GENERAL HOSPITAL CORPORATION (US) 2015-07-16 WO claimed
US-10758569-B2 Heteroaryl disulfide compounds as allosteric effectors for increasing the oxygen-binding affinity of hemoglobin THE GENERAL HOSPITAL CORPORATION (US) 2020-09-01 US disclosed
US-10758569-B2 Heteroaryl disulfide compounds as allosteric effectors for increasing the oxygen-binding affinity of hemoglobin THE GENERAL HOSPITAL CORPORATION (US) 2020-09-01 US disclosed
US-10640630-B2 Elastomeric composites containing modified fillers and functionalized elastomers CABOT CORPORATION (US) 2020-05-05 US disclosed
EP-2819854-B1 ELASTOMERIC COMPOSITES CONTAINING MODIFIED FILLERS AND FUNCTIONALIZED ELASTOMERS CABOT CORP (US) 2020-04-15 EP disclosed
EP-3626707-A1 HETEROARYL DISULFIDE COMPOUNDS AS ALLOSTERIC EFFECTORS FOR INCREASING THE OXYGEN-BINDING AFFINITY OF HEMOGLOBIN The General Hospital Corporation (US) 2020-03-25 EP disclosed
EP-3626707-A1 HETEROARYL DISULFIDE COMPOUNDS AS ALLOSTERIC EFFECTORS FOR INCREASING THE OXYGEN-BINDING AFFINITY OF HEMOGLOBIN The General Hospital Corporation (US) 2020-03-25 EP disclosed
EP-3094619-B1 HETEROARYL DISULFIDE COMPOUNDS AS ALLOSTERIC EFFECTORS FOR INCREASING THE OXYGEN-BINDING AFFINITY OF HEMOGLOBIN MASSACHUSETTS GEN HOSPITAL (US) 2019-07-31 EP disclosed
WO-2013130099-A1 ELASTOMERIC COMPOSITES CONTAINING MODIFIED FILLERS AND FUNCTIONALIZED ELASTOMERS CABOT CORPORATION (US) 2013-09-06 WO disclosed
US-20130165560-A1 Modified Fillers And Elastomeric Composites Comprising Same CABOT CORPORATION (US) 2013-06-27 US disclosed
WO-2012031183-A2 MODIFIED FILLERS AND ELASTOMERIC COMPOSITES COMPRISING SAME CABOT CORPORATION (US) 2012-03-08 WO disclosed
WO-2010123997-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-10-28 WO disclosed
WO-2010123997-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-10-28 WO disclosed
WO-2010030811-A2 CARBACEPHEM β-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-03-18 WO disclosed
WO-2010030811-A2 CARBACEPHEM β-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-03-18 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 (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-20160331782-A1 HETEROARYL DISULFIDE COMPOUNDS AS ALLOSTERIC EFFECTORS FOR INCREASING THE OXYGEN-BINDING AFFINITY OF HEMOGLOBIN HIF1AN, HBG2, HIF1A FBP1 1435/4885ALDH1A1 2214/4885SMN1; SMN2 1069/4885
US-10758569-B2 Heteroaryl disulfide compounds as allosteric effectors for increasing the oxygen-binding affinity of hemoglobin HIF1AN, HBG2, HIF1A FBP1 1435/4885ALDH1A1 2214/4885SMN1; SMN2 1069/4885

“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.