SCHEMBL9952308

SCHEMBL9952308

N[C@@H](Cc1ncccc1O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
SLC7A5 Q01650 4/20 0.49
PTGS1 P23219 2/20 0.49
PKM P14618 2/20 0.49
ALPI P09923 1/20 0.49
XIAP P98170 1/20 0.49
KDM4E B2RXH2 5/20 0.46
HIF1A Q16665 4/20 0.46
HSD17B10 Q99714 3/20 0.46
USP2 O75604 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
ALOX15 P16050 2/20 0.46
RECQL P46063 2/20 0.46
EGFR P00533 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
HTR2A P28223 1/20 0.46

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
SCHEMBL28758399 0.82 CYP1A2 (0.50) CYP1A2SLC7A5PTGS1PKMALPI
SCHEMBL31267212 0.82 NAPRT (0.50) CYP1A2ALDH1A1L3MBTL1SLC7A5PTGS1
SCHEMBL31754293 0.82 CYP1A2 (0.50) CYP1A2ALDH1A1L3MBTL1SLC7A5PTGS1
SCHEMBL13957327 0.82 CYP1A2 (0.50) CYP1A2SLC7A5PTGS1PKMALPI
SCHEMBL25357948 0.81 CYP1A2 (0.49) CYP1A2ALDH1A1SLC7A5PTGS1PKM
SCHEMBL25357952 0.81 CYP1A2 (0.49) CYP1A2ALDH1A1SLC7A5PTGS1PKM
SCHEMBL10251307 0.80 CYP1A2 (0.48) CYP1A2SLC7A5PTGS1PKMALPI
SCHEMBL5560781 0.80 CYP1A2 (0.48) CYP1A2SLC7A5PTGS1PKMALPI
SCHEMBL2133786 0.77 CYP1A2 (0.46) CYP1A2ALDH1A1SLC7A5PTGS1PKM
SCHEMBL31288648 0.77 CYP1A2 (0.46) CYP1A2ALDH1A1SLC7A5PTGS1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3427737-A1 SANGLIFEHRIN DERIVATIVES AND METHODS FOR THEIR PRODUCTION NeuroVive Pharmaceutical AB (SE) 2019-01-16 EP disclosed
EP-2654753-B1 SANGLIFEHRIN DERIVATIVES AND METHODS FOR THEIR PRODUCTION NEUROVIVE PHARMACEUTICAL AB (SE) 2018-10-31 EP disclosed
EP-2770977-B1 NOVEL DOSAGE FORM NEUROVIVE PHARMACEUTICAL AB (SE) 2017-07-12 EP disclosed
US-9504728-B2 Dosage form NEUROVIVE PHARMACEUTICAL AB (SE) 2016-11-29 US disclosed
US-9271977-B2 Sanglifehrin derivatives and methods for their production NEUROVIVE PHARMACEUTICAL AB (SE) 2016-03-01 US disclosed
US-9139613-B2 Macrocyclic compounds and methods for their production NEUROVIVE PHARMACEUTICAL AB (SE) 2015-09-22 US disclosed
EP-2691413-B1 MACROCYCLIC COMPOUNDS AND METHODS FOR THEIR PRODUCTION NEUROVIVE PHARMACEUTICAL AB (SE) 2014-12-24 EP disclosed
EP-2770977-A1 NOVEL DOSAGE FORM Neurovive Pharmaceutical AB (SE) 2014-09-03 EP disclosed
US-20140234414-A1 Novel Dosage Form Abliva Ab (SE) 2014-08-21 US disclosed
US-20140080837-A1 Sanglifehrin Derivatives and Methods for Their Production Neurovive Pharmaceuticals AB (SE) 2014-03-20 US disclosed
US-20140038885-A1 Macrocyclic Compounds and Methods for Their Production NEUROVIVE PHARMACEUTICAL AB (SE) 2014-02-06 US disclosed
EP-2691413-A1 MACROCYCLIC COMPOUNDS AND METHODS FOR THEIR PRODUCTION Neurovive Pharmaceutical AB (SE) 2014-02-05 EP disclosed
EP-2654753-A1 SANGLIFEHRIN DERIVATIVES AND METHODS FOR THEIR PRODUCTION Neurovive Pharmaceutical AB (SE) 2013-10-30 EP disclosed
WO-2013061052-A1 NOVEL DOSAGE FORM BIOTICA TECHNOLOGY LIMITED (GB) 2013-05-02 WO disclosed
WO-2012131377-A1 MACROCYCLIC COMPOUNDS AND METHODS FOR THEIR PRODUCTION BIOTICA TECHNOLOGY LIMITED (GB) 2012-10-04 WO disclosed
WO-2012085553-A1 SANGLIFEHRIN DERIVATIVES AND METHODS FOR THEIR PRODUCTION BIOTICA TECHNOLOGY LIMITED (GB) 2012-06-28 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 (3 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-20140234414-A1 Novel Dosage Form SI, RAB10, SAMM50 CYP1A2 567/4885ALDH1A1 2618/4885L3MBTL1 3984/4885
US-20140080837-A1 Sanglifehrin Derivatives and Methods for Their Production MAVS, HDGF, TTPA CYP1A2 589/4885ALDH1A1 2545/4885L3MBTL1 2765/4885
US-20140038885-A1 Macrocyclic Compounds and Methods for Their Production HAVCR2, RPL35, CD4 CYP1A2 184/4885ALDH1A1 2007/4885L3MBTL1 1950/4885

“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.