SCHEMBL907579

SCHEMBL907579

CCC(=O)c1cc(SC(C)N(C)C)cc([N+](=O)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ MAPT P10636 5/20 0.35
▸ GAA P10253 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ ALDH1A1 P00352 5/20 0.33
▸ LMNA P02545 2/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL10033454 0.77 CYP3A4 (0.57) NPC1CYP3A4SMN1; SMN2KMT2AHTT
SCHEMBL908724 0.75 MAPT (0.49) ATMNPC1CYP3A4SMN1; SMN2KMT2A
SCHEMBL26306816 0.74 CYP3A4 (0.42) NPC1CYP3A4SMN1; SMN2HTTMAPT
SCHEMBL15054774 0.72 TP53 (0.42) ATMNPC1CYP3A4SMN1; SMN2KMT2A
SCHEMBL27519357 0.71 CYP3A4 (0.46) NPC1CYP3A4SMN1; SMN2KMT2AHTT
SCHEMBL27571763 0.70 NPC1 (0.66) NPC1CYP3A4SMN1; SMN2KMT2AHTT
SCHEMBL21508637 0.68 CYP3A4 (0.42) ATMNPC1CYP3A4SMN1; SMN2KMT2A
SCHEMBL907368 0.68 LMNA (0.40) NPC1CYP3A4SMN1; SMN2KMT2AHTT
SCHEMBL671514 0.67 GSK3B (0.67) GAAALDH1A1LMNAGSK3B
SCHEMBL29656466 0.67 CYP3A4 (0.44) NPC1CYP3A4SMN1; SMN2MAPTGAA

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
EP-2133099-B1 Conjugated biological molecules and their preparation POLYTHERICS LTD (GB) 2017-04-19 — — EP disclosed
US-9439974-B2 Conjugated biological molecules and their preparation POLYTHERICS LIMITED (GB) 2016-09-13 — — US disclosed
EP-2277550-B1 Process for the preparation of conjugated biological molecules. POLYTHERICS LTD (GB) 2015-04-29 — — EP disclosed
US-20140369960-A1 CONJUGATED BIOLOGICAL MOLECULES AND THEIR PREPARATION ABZENA (CAMBRIDGE) LIMITED (GB) 2014-12-18 — — US disclosed
US-8816051-B2 Conjugated biological molecules and their preparation POLYTHERICS LIMITED (GB) 2014-08-26 — — US disclosed
US-20110182855-A1 CONJUGATED BIOLOGICAL MOLECULES AND THEIR PREPARATION POLYTHERICS LIMITED (GB) 2011-07-28 — — US disclosed
US-7939630-B2 Conjugated biological molecules and their preparation POLYTHERICS LIMITED (GB) 2011-05-10 — — US disclosed
EP-2277550-A1 Conjugated biological molecules and their preparation Polytherics Limited (GB) 2011-01-26 — — EP disclosed
EP-2253330-A2 Conjugated biological molecules and their preparation Polytherics Limited (GB) 2010-11-24 — — EP disclosed
EP-2133099-A2 Conjugated biological molecules and their preparation Polytherics Limited (GB) 2009-12-16 — — EP disclosed
US-20090298154-A1 Conjugated biological molecules and their preparation POLYTHERICS LIMITED (GB) 2009-12-03 — — US disclosed
US-7595292-B2 Conjugated biological molecules and their preparation POLYTHERICS LIMITED (GB) 2009-09-29 — — US disclosed
EP-1648518-B1 CONJUGATED BIOLOGICAL MOLECULES AND THEIR PREPARATION POLYTHERICS LTD (GB) 2009-08-26 — — EP disclosed
US-20060210526-A1 polyoxyethylene glycol-protein conjugate linked via linking group ABZENA (CAMBRIDGE) LIMITED (GB) 2006-09-21 — — 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 (4 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-20140369960-A1 CONJUGATED BIOLOGICAL MOLECULES AND THEIR PREPARATION F13B, F13A1, ZYX ATM 4658/4885NPC1 4561/4885CYP3A4 3467/4885
US-20110182855-A1 CONJUGATED BIOLOGICAL MOLECULES AND THEIR PREPARATION F13B, ZYX, F13A1 ATM 4638/4885NPC1 4476/4885CYP3A4 3361/4885
US-20090298154-A1 Conjugated biological molecules and their preparation F13B, ZYX, F13A1 ATM 4638/4885NPC1 4476/4885CYP3A4 3361/4885
US-20060210526-A1 polyoxyethylene glycol-protein conjugate linked via linking group F13A1, F13B, SSB ATM 4551/4885NPC1 4258/4885CYP3A4 4261/4885

“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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