SCHEMBL982237

SCHEMBL982237

CCn1cc(-c2cnco2)c2ccc(C(=O)OC)cc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.44
HTR6 P50406 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
NR4A2 P43354 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
IMPDH2 P12268 6/20 0.39
KDM4E B2RXH2 2/20 0.39
AAK1 Q2M2I8 4/20 0.39
MAPK8 P45983 1/20 0.38
EDNRA P25101 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL10095293 0.81 CA12 (0.43) HTR7HTR6CA12CA1CA2
SCHEMBL10193354 0.79 LMNA (0.42) HTR7IMPDH2ALDH1A1
SCHEMBL982901 0.78 CA12 (0.45) HTR7HTR6CA12CA1CA2
SCHEMBL980378 0.75 NR4A2 (0.57) NR4A2CNR1CNR2KDM4EEDNRA
SCHEMBL10095294 0.75 CA12 (0.48) HTR7HTR6CA12CA1CA2
SCHEMBL979498 0.74 NR4A2 (0.56) HTR7HTR6NR4A2CNR1CNR2
SCHEMBL10095301 0.74 DHFR (0.47) HTR7HTR6CA12CA1CA2
SCHEMBL20604768 0.74 NR4A2 (0.48) HTR7HTR6NR4A2CNR1CNR2
SCHEMBL14467647 0.74 NR4A2 (0.48) HTR7HTR6CA12CA1CA2
SCHEMBL15741823 0.73 IMPDH2 (0.63) IMPDH2AAK1

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
EP-1771169-A1 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2007-04-11 EP disclosed
US-20060223863-A1 Methods for treating Hepatitis C KARP GARY M 2006-10-05 US disclosed
US-20060189606-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2006-08-24 US disclosed
WO-2006019831-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2006-02-23 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 (7 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-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS HTR7 4500/4885HTR6 4421/4885CA12 875/4885
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS HTR7 3599/4885HTR6 3737/4885CA12 794/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS HTR7 3574/4885HTR6 3220/4885CA12 1807/4885
US-20060189606-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS HTR7 4500/4885HTR6 4421/4885CA12 875/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS HTR7 4500/4885HTR6 4421/4885CA12 875/4885
US-20060223863-A1 Methods for treating Hepatitis C OAT, HAVCR2, HCCS HTR7 3574/4885HTR6 3220/4885CA12 1807/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP HTR7 4166/4885HTR6 4097/4885CA12 2269/4885

“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.