SCHEMBL17175243

SCHEMBL17175243

CC(C)CCOCCOCCNC(=S)Nc1ccc(N=C=S)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 2/20 0.61
LMNA P02545 6/20 0.51
ALDH1A1 P00352 5/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 6/20 0.51
ALOX12 P18054 3/20 0.51
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
GLA P06280 1/20 0.44
HTT P42858 1/20 0.44
HPGD P15428 2/20 0.40
ACHE P22303 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
EPHX2 P34913 1/20 0.38

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
SCHEMBL17885936 0.99 P2RY6 (0.62) P2RY6LMNAALDH1A1RAB9AL3MBTL1
SCHEMBL24179730 0.87 P2RY6 (0.65) P2RY6LMNAALDH1A1RAB9AL3MBTL1
SCHEMBL19057217 0.87 P2RY6 (0.65) P2RY6LMNAALDH1A1RAB9AL3MBTL1
SCHEMBL17175241 0.86 P2RY6 (0.58) P2RY6LMNAALDH1A1RAB9AL3MBTL1
SCHEMBL19732526 0.85 P2RY6 (0.67) P2RY6LMNAALDH1A1RAB9AL3MBTL1
SCHEMBL17885893 0.85 P2RY6 (0.60) P2RY6LMNAALDH1A1RAB9AL3MBTL1
SCHEMBL19057216 0.85 P2RY6 (0.62) P2RY6LMNAALDH1A1RAB9AL3MBTL1
SCHEMBL20953611 0.84 P2RY6 (0.65) P2RY6LMNAALDH1A1RAB9AL3MBTL1
SCHEMBL19732544 0.84 P2RY6 (0.69) P2RY6LMNAALDH1A1RAB9AL3MBTL1
SCHEMBL19732505 0.83 P2RY6 (0.64) P2RY6LMNAALDH1A1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067650-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2024-02-29 US disclosed
WO-2023150540-A1 HYDROXAMIC ACID MACROCYCLIC AGENTS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. (US) 2023-08-10 WO disclosed
US-11691997-B2 Macrocycles LUMIPHORE, INC. (US) 2023-07-04 US disclosed
EP-3129350-B1 MACROCYCLES LUMIPHORE INC (US) 2021-10-27 EP disclosed
US-20210290787-A1 MACROCYCLE CONJUGATES LUMIPHORE, INC. 2021-09-23 US disclosed
US-20200405887-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2020-12-31 US disclosed
US-20200062757-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2020-02-27 US disclosed
WO-2019173639-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. (US) 2019-09-12 WO disclosed
US-10273256-B2 Macrocycles LUMIPHORE, INC. (US) 2019-04-30 US disclosed
US-10239878-B2 Macrocyclic ligands with pendant chelating moieties and complexes thereof LUMIPHORE, INC. (US) 2019-03-26 US disclosed
US-20180194766-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2018-07-12 US disclosed
WO-2018045385-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. (US) 2018-03-08 WO disclosed
US-20170183365-A1 MACROCYCLES LUMIPHORE, INC. 2017-06-29 US disclosed
WO-2015157057-A1 MACROCYCLES LUMIPHORE, INC (US) 2015-10-15 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 (9 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-20210290787-A1 MACROCYCLE CONJUGATES FOLH1, KLK3, CD47 P2RY6 4109/4885LMNA 3776/4885ALDH1A1 884/4885
US-20200062757-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 P2RY6 2041/4885LMNA 3330/4885ALDH1A1 2862/4885
US-11691997-B2 Macrocycles HCCS, ABCB7, AURKAIP1 P2RY6 4014/4885LMNA 3079/4885ALDH1A1 1863/4885
US-20240067650-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 P2RY6 2041/4885LMNA 3330/4885ALDH1A1 2862/4885
US-20180194766-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 P2RY6 2041/4885LMNA 3330/4885ALDH1A1 2862/4885
US-10273256-B2 Macrocycles HCCS, ABCB7, AURKAIP1 P2RY6 4014/4885LMNA 3079/4885ALDH1A1 1863/4885
US-20170183365-A1 MACROCYCLES HCCS, ABCB7, AURKAIP1 P2RY6 4014/4885LMNA 3079/4885ALDH1A1 1863/4885
US-10239878-B2 Macrocyclic ligands with pendant chelating moieties and complexes thereof TFRC, CLTC, SLC39A3 P2RY6 2041/4885LMNA 3330/4885ALDH1A1 2862/4885
US-20200405887-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 P2RY6 2041/4885LMNA 3330/4885ALDH1A1 2862/4885

“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.