SCHEMBL908724

SCHEMBL908724

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.49
▸ LMNA P02545 5/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ S1PR4 O95977 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CYP3A4 P08684 2/20 0.38
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.35
▸ ATM Q13315 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34

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 0.80 CYP3A4 (0.57) LMNASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL15054482 0.77 MAPT (0.62) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL907579 0.75 ATM (0.36) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL15720722 0.74 MAPT (0.48) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL27519357 0.74 CYP3A4 (0.46) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL27571763 0.73 NPC1 (0.66) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL28798451 0.71 ALDH1A1 (0.52) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL26306816 0.71 CYP3A4 (0.42) MAPTLMNASMN1; SMN2NPC1HTT
SCHEMBL21508637 0.71 CYP3A4 (0.42) LMNASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL907368 0.70 LMNA (0.40) MAPTLMNASMN1; SMN2MEN1KMT2A

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 17 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-2253330-B1 Conjugated biological molecules and their preparation POLYTHERICS LTD (GB) 2015-08-19 — — EP 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
EP-1648518-A2 CONJUGATED BIOLOGICAL MOLECULES AND THEIR PREPARATION Polytherics Limited (GB) 2006-04-26 — — EP disclosed
WO-2005007197-A2 CONJUGATED BIOLOGICAL MOLECULES AND THEIR PREPARATION POLYTHERICS LIMITED (GB) 2005-01-27 — — 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 (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 MAPT 4472/4885LMNA 543/4885SMN1; SMN2 4256/4885
US-20110182855-A1 CONJUGATED BIOLOGICAL MOLECULES AND THEIR PREPARATION F13B, ZYX, F13A1 MAPT 4643/4885LMNA 614/4885SMN1; SMN2 4291/4885
US-20090298154-A1 Conjugated biological molecules and their preparation F13B, ZYX, F13A1 MAPT 4643/4885LMNA 614/4885SMN1; SMN2 4291/4885
US-20060210526-A1 polyoxyethylene glycol-protein conjugate linked via linking group F13A1, F13B, SSB MAPT 4536/4885LMNA 1265/4885SMN1; SMN2 3526/4885

“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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