SCHEMBL16896247

SCHEMBL16896247

CCOC(=O)c1sc(SSc2sc(C(=O)OCC)c(C)c2C(=O)OCC)c(C(=O)OCC)c1C

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.63
RAB9A P51151 2/20 0.63
NPC1 O15118 1/20 0.63
ALDH1A1 P00352 11/20 0.56
TSHR P16473 2/20 0.56
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
KDM4E B2RXH2 1/20 0.54
GAA P10253 4/20 0.52
HPGD P15428 4/20 0.51
HSD17B10 Q99714 4/20 0.51
MAPK1 P28482 3/20 0.51
ALOX15 P16050 1/20 0.51
PKM P14618 2/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
KCNH2 Q12809 1/20 0.49
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL1006034 0.88 MAPT (0.61) MAPTRAB9ANPC1ALDH1A1TSHR
SCHEMBL14948701 0.80 MAPT (0.69) MAPTRAB9ANPC1ALDH1A1TSHR
SCHEMBL21204943 0.79 MAPT (0.42) MAPTRAB9ANPC1ALDH1A1TSHR
SCHEMBL6976448 0.79 MAPT (0.54) MAPTRAB9ANPC1ALDH1A1TSHR
SCHEMBL6970961 0.78 MAPT (0.53) MAPTRAB9ANPC1ALDH1A1TSHR
SCHEMBL1143421 0.77 MAPT (1.00) MAPTRAB9ANPC1ALDH1A1TSHR
SCHEMBL28907995 0.77 MAPT (0.65) MAPTRAB9ANPC1ALDH1A1TSHR
SCHEMBL28538959 0.77 MAPT (0.65) MAPTRAB9ANPC1ALDH1A1TSHR
SCHEMBL6972054 0.75 ALDH1A1 (0.52) MAPTRAB9ANPC1ALDH1A1TSHR
SCHEMBL15210472 0.75 MAPT (0.61) MAPTRAB9ANPC1ALDH1A1TSHR

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-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
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
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
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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 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 MAPT 4551/4885RAB9A 2816/4885NPC1 3836/4885
US-10758569-B2 Heteroaryl disulfide compounds as allosteric effectors for increasing the oxygen-binding affinity of hemoglobin HIF1AN, HBG2, HIF1A MAPT 4551/4885RAB9A 2816/4885NPC1 3836/4885

“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.