SCHEMBL11095697

SCHEMBL11095697

COC(=O)c1cc(SC)ccc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.58
ALDH1A1 P00352 6/20 0.58
GAA P10253 6/20 0.58
MAPT P10636 5/20 0.58
HSD17B10 Q99714 4/20 0.58
HPGD P15428 3/20 0.58
ALOX15 P16050 2/20 0.58
TSHR P16473 1/20 0.58
CFTR P13569 3/20 0.53
GLA P06280 2/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
ATM Q13315 1/20 0.49
ABL1 P00519 1/20 0.47
MCL1 Q07820 1/20 0.46
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.42

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
Hydrochloric Acid SCHEMBL11278666 0.98 KDM4E (0.57) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL6492188 0.86 ALDH1A1 (0.62) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL1027768 0.82 ALDH1A1 (0.54) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL24391473 0.81 MAPT (0.61) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL9541352 0.81 ALDH1A1 (0.53) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL2847891 0.81 MCL1 (0.47) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL10373447 0.81 MCL1 (0.66) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL9770537 0.80 MCL1 (0.50) KDM4EGAAMAPTHSD17B10HPGD
SCHEMBL3978328 0.80 MCL1 (0.65) KDM4EALDH1A1MAPTHSD17B10ALOX15
SCHEMBL10432256 0.80 ALDH1A1 (0.51) KDM4EALDH1A1GAAMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360085-A1 Glucose Uptake Inhibitors KADMON CORPORATION, LLC (US) 2024-10-31 US disclosed
US-12030857-B2 Glucose uptake inhibitors KADMON CORPORATION, LLC (US) 2024-07-09 US disclosed
US-20220363648-A1 Glucose Uptake Inhibitors KADMON CORPORATION, LLC 2022-11-17 US disclosed
EP-0023594-B1 TRANS-QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND MEDICAMENTS CONTAINING THESE DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-05-16 EP disclosed
US-4282360-A ANTIALLERGENS HOFFMANN-LA ROCHE INC. (US) 1981-08-04 US disclosed
US-4281127-A USEFUL AS ANTIALLERGENS HOFFMANN-LA ROCHE INC. (US) 1981-07-28 US 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 (3 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-12030857-B2 Glucose uptake inhibitors SLC2A1, SLC2A4, SLC2A2 KDM4E 2325/4885ALDH1A1 1422/4885GAA 332/4885
US-20220363648-A1 Glucose Uptake Inhibitors SLC2A1, SLC2A4, SLC2A2 KDM4E 2325/4885ALDH1A1 1422/4885GAA 332/4885
US-20240360085-A1 Glucose Uptake Inhibitors SLC2A3, SLC2A1, SLC2A4 KDM4E 2173/4885ALDH1A1 1565/4885GAA 343/4885

“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.