SCHEMBL2521030

SCHEMBL2521030

Cc1c(S)cccc1-c1c(S)nnn1-c1ccc(O)cc1O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
KCNMA1 Q12791 1/20 0.31
IDO1 P14902 1/20 0.30
TDO2 P48775 1/20 0.30

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
SCHEMBL1148593 0.90 MGAM (0.36) DHODHMGAMGAASIMGAM2
SCHEMBL1147862 0.85 HSP90AA1 (0.38) MGAMGAASIMGAM2KCNMA1
SCHEMBL1148407 0.83 GAA (0.36) MGAMGAASIMGAM2
SCHEMBL1148441 0.81 MGAM (0.36) MGAMGAASIMGAM2KCNMA1
SCHEMBL930756 0.81 ESR1 (0.39) DHODHKCNMA1
SCHEMBL1148449 0.81 HSP90AA1 (0.33) KCNMA1IDO1TDO2
SCHEMBL1148629 0.80 ALOX5 (0.44) DHODHKCNMA1
SCHEMBL1147778 0.80 HSP90AA1 (0.37) KCNMA1
SCHEMBL1147749 0.80 HSP90AA1 (0.41) DHODHKCNMA1
SCHEMBL1148426 0.80 KCNN4 (0.36) KCNMA1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150094349-A1 Method for Treating Proliferative Disorders Associated with Protooncogene Products SYNTA PHARMACEUTICALS CORP (US) 2015-04-02 US disclosed
US-8034834-B2 Method for treating proliferative disorders with HSP90 inhibitors SYNTA PHARMACEUTICALS CORP. (US) 2011-10-11 US disclosed
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 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 (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-20150094349-A1 Method for Treating Proliferative Disorders Associated with Protooncogene Products HSP90AB1, HSP90AB2P, HSP90AA1 DHODH 3214/4885MGAM 985/4885GAA 320/4885
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products HSP90AB1, HSP90AB2P, HSP90AA1 DHODH 3214/4885MGAM 985/4885GAA 320/4885

“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.