SCHEMBL722791

SCHEMBL722791

Cc1ccc2ccccc2c1OOP(=O)(Cl)Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.43
TSHR P16473 3/20 0.43
CYP2A6 P11509 3/20 0.43
PAX8 Q06710 1/20 0.39
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 1/20 0.38
HPRT1 P00492 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
MAPT P10636 1/20 0.35
ACHE P22303 1/20 0.35
SLC6A2 P23975 1/20 0.35
AHR P35869 1/20 0.35

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
SCHEMBL723182 0.83 TSHR (0.46) CYP1A2TSHRCYP2A6PAX8ALDH1A1
SCHEMBL28442765 0.73 ACP3 (0.46) CYP1A2TSHRCYP2A6ALDH1A1HSD17B10
SCHEMBL3635012 0.73 CYP2A6 (0.58) CYP1A2TSHRCYP2A6ALDH1A1HSD17B10
SCHEMBL723710 0.73 HTR1B (0.44) TSHRCYP2A6PAX8ALDH1A1HSD17B10
SCHEMBL1824124 0.71 TSHR (0.56) CYP1A2TSHRCYP2A6ALDH1A1HSD17B10
SCHEMBL11867995 0.70 TSHR (0.46) CYP1A2TSHRCYP2A6ALDH1A1HSD17B10
SCHEMBL24299848 0.70 CYP2A6 (0.54) CYP1A2TSHRCYP2A6ALDH1A1HSD17B10
SCHEMBL2497894 0.69 TSHR (0.48) CYP1A2TSHRCYP2A6PAX8ALDH1A1
SCHEMBL22207935 0.69 CYP2A6 (0.48) CYP1A2TSHRCYP2A6ALDH1A1HSD17B10
SCHEMBL11811296 0.69 TSHR (0.48) CYP1A2TSHRCYP2A6PAX8ALDH1A1

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-8759318-B2 Phosphoramidate derivatives of guanosine nucleoside compounds for treatment of viral infections INHIBITEX, INC. (US) 2014-06-24 US disclosed
US-20120052046-A1 Phosphoramidate Derivatives of Guanosine Nucleoside Compunds for Treatment of Viral Infections UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2012-03-01 US disclosed
EP-2385951-A2 PHOSPHORAMIDATE DERIVATIVES OF GUANOSINE NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INFECTIONS University College Cardiff Consultants, Ltd. (GB) 2011-11-16 EP disclosed
US-20110254856-A1 MOBILE TERMINAL AND METHOD OF CONTROLLING OPERATION OF THE MOBILE TERMINAL LG ELECTRONICS INC. (KR) 2011-10-20 US disclosed
WO-2010081082-A2 PHOSPHORAMIDATE DERIVATIVES OF GUANOSINE NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INFECTIONS UNIVERSITY COLLEGE OF CARDIFF CONSULTANTS LIMITED (GB) 2010-07-15 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 (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-20120052046-A1 Phosphoramidate Derivatives of Guanosine Nucleoside Compunds for Treatment of Viral Infections PNP, SAMHD1, MTAP CYP1A2 3821/4885TSHR 4198/4885CYP2A6 2491/4885

“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.