SCHEMBL2153784

SCHEMBL2153784

CC(C)(C)C1CCc2c(sc3nc(C(F)(F)F)[nH]c(=O)c23)C1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.55
▸ POLB P06746 3/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.52
▸ THRB P10828 1/20 0.50
▸ MAPT P10636 3/20 0.49
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ HPGD P15428 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ LMNA P02545 1/20 0.45
▸ BRD4 O60885 3/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ HTT P42858 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
SCHEMBL11480037 0.81 KDM4E (0.54) TP53POLBRXFP1THRBMAPT
SCHEMBL11480030 0.80 KDM4E (0.53) TP53POLBRXFP1THRBMAPT
SCHEMBL3924265 0.77 HIF1A (0.63) TP53POLBRXFP1MAPTMEN1
SCHEMBL14644998 0.72 POLB (0.57) TP53POLBMAPTNPC1RAB9A
SCHEMBL12210344 0.71 POLB (0.56) TP53POLBMAPTNPC1RAB9A
SCHEMBL2951746 0.68 ALDH1A1 (0.65) POLBMAPTNPC1RAB9AMEN1
SCHEMBL16281239 0.65 KDM4E (0.58) POLBMAPTNPC1RAB9AMEN1
SCHEMBL20254473 0.65 KMT2A (0.59) TP53POLBRXFP1THRBMAPT
SCHEMBL14625798 0.64 LIMK1 (0.71) MAPTKDM4EHPGDPKMNPSR1
SCHEMBL14090705 0.64 KDM4E (0.57) POLBMAPTNPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120295890-A1 GLYCOSAMINOGLYCAN INHIBITORS Zacharon Pharmaceutical, Inc. (US) 2012-11-22 — — US disclosed
WO-2011082175-A2 GLYCOSAMINOGLYCAN INHIBITORS ZACHARON PHARMACEUTICALS, INC. (US) 2011-07-07 — — WO disclosed
US-20100048638-A1 HEPARAN SULFATE INHIBITORS ZACHARON PHARMACEUTICALS, INC. (US) 2010-02-25 — — US disclosed
US-20100048638-A1 HEPARAN SULFATE INHIBITORS ZACHARON PHARMACEUTICALS, INC. (US) 2010-02-25 — — US disclosed
WO-2010003023-A2 HEPARAN SULFATE INHIBITORS ZACHARON PHARMACEUTICALS, INC. (US) 2010-01-07 — — 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-20120295890-A1 GLYCOSAMINOGLYCAN INHIBITORS CSGALNACT1, FUT5, ST3GAL3 TP53 3840/4885POLB 4591/4885RXFP1 1637/4885
US-20100048638-A1 HEPARAN SULFATE INHIBITORS HPSE, ENGASE, CSGALNACT1 TP53 4477/4885POLB 4581/4885RXFP1 2793/4885

“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.

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