SCHEMBL16604231

SCHEMBL16604231

CCc1cc(C2=NNC(S)N2c2cccc(F)c2F)c(O)cc1OC(=O)N(C)C

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.30
LTB4R Q15722 2/20 0.30
LTB4R2 Q9NPC1 2/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CCNT1 O60563 1/20 0.30
CDK9 P50750 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
SCHEMBL975720 0.76 HSP90AA1 (0.34) ACHELTB4RLTB4R2
SCHEMBL8931063 0.75 HSP90AA1 (0.42) ALDH1A1LMNAMAPTHPGD
SCHEMBL14344409 0.74 HSP90AA1 (0.34) ACHELTB4RLTB4R2
SCHEMBL1345695 0.70 GRIN1 (0.33) ACHELTB4RLTB4R2MAPK1CCNT1
SCHEMBL12180074 0.68 HSP90AA1 (0.39) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL14344320 0.65 ALDH1A1 (0.43) ALDH1A1LMNAHPGDALOX15KMT2A
SCHEMBL8931057 0.63 HSP90AA1 (0.50)
SCHEMBL8931056 0.63 NCEH1 (0.45) ACHEALDH1A1LMNAMAPTHPGD
SCHEMBL16281121 0.61 HSP90AA1 (0.30)
SCHEMBL976108 0.60 NCEH1 (0.41) LMNA

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 2 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-20150094349-A1 Method for Treating Proliferative Disorders Associated with Protooncogene Products SYNTA PHARMACEUTICALS CORP (US) 2015-04-02 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 (1 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 ACHE 4836/4885LTB4R 4398/4885LTB4R2 4570/4885

“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.