SCHEMBL222213

SCHEMBL222213

Cc1ccc(NS(C)(=O)=O)c(C(=O)O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.68
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
GFER P55789 1/20 0.53
ALDH1A1 P00352 5/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
CSNK2A1 P68400 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
ACLY P53396 1/20 0.48
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
MCL1 Q07820 1/20 0.47
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
NEU3 Q9UQ49 1/20 0.46
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL17973442 0.86 METAP2 (0.51) METAP2KMT2AMEN1ALDH1A1HPGD
SCHEMBL7556102 0.86 ACLY (0.62) METAP2KMT2AALDH1A1HPGDHSD17B10
SCHEMBL2738122 0.85 METAP2 (0.50) METAP2KMT2AMEN1ALDH1A1HPGD
SCHEMBL22650327 0.84 METAP2 (0.50) METAP2KMT2AMEN1ALDH1A1HPGD
SCHEMBL16569780 0.83 KDM4E (0.59) METAP2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL12570805 0.82 METAP2 (0.86) METAP2CYP1A2CYP2C9ACLYMCL1
SCHEMBL31046886 0.81 METAP2 (0.53) METAP2KMT2AMEN1ALDH1A1MCL1
SCHEMBL30100431 0.81 ACLY (0.66) METAP2KMT2AMEN1ALDH1A1HPGD
SCHEMBL221627 0.81 KMT2A (0.49) METAP2KMT2AMEN1ALDH1A1HPGD
SCHEMBL221687 0.81 METAP2 (0.53) METAP2KMT2AMEN1ALDH1A1MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107207512-B Tricyclic pyrazole simultaneously [1, the 5-A] pyrimidine derivatives that there is the piperidines of inhibitory activity to replace the duplication of Respiratory Syncytial Virus(RSV) (RSV) 爱尔兰詹森科学公司 2019-09-10 CN disclosed
EP-2838900-B1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2019-08-21 EP disclosed
EP-2838900-B1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2019-08-21 EP disclosed
US-10188754-B2 Compositions and methods for chemical exchange saturation transfer (CEST) based magnetic resonance imaging (MRI) THE JOHNS HOPKINS UNIVERSITY (US) 2019-01-29 US disclosed
US-10174038-B2 Compounds and methods for antiviral treatment GILEAD SCIENCES, INC. (US) 2019-01-08 US disclosed
US-10174038-B2 Compounds and methods for antiviral treatment GILEAD SCIENCES, INC. (US) 2019-01-08 US disclosed
EP-3230288-B1 PIPERIDINE SUBSTITUTED TRICYCLIC PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES WITH INHIBITORY ACTIVITY ON THE REPLICATION OF THE RESPIRATORY SYNCYTIAL VIRUS (RSV) JANSSEN SCIENCES IRELAND UC (IE) 2018-11-21 EP disclosed
US-10131673-B2 Piperidine substituted tricyclic pyrazolo[1,5-a]pyrimidine derivatives with inhibitory activity on the replication of the respiratory syncytial virus (RSV) JANSSEN SCIENCES IRELAND UC (IE) 2018-11-20 US disclosed
US-20180298011-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2018-10-18 US disclosed
EP-3012258-B1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVE AS AN ANTIVIRAL AGENT GILEAD SCIENCES INC (US) 2018-09-19 EP disclosed
WO-2013096681-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2013-06-27 WO disclosed
WO-2013096681-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2013-06-27 WO disclosed
US-20130164280-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2013-06-27 US disclosed
EP-2585467-A1 PYRAZOLO [1, 5 -A]PYRIMIDINES AS ANTIVIRAL AGENTS Gilead Sciences, Inc. (US) 2013-05-01 EP disclosed
CN-102958933-A Pyrazolo [1,5-A ] pyrimidines as antiviral agents GILEAD SCIENCES INC 2013-03-06 CN disclosed
US-20120003215-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-01-05 US disclosed
US-20120003215-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-01-05 US disclosed
US-20120003215-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-01-05 US disclosed
WO-2011163518-A1 PYRAZOLO [1, 5 -A] PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2011-12-29 WO disclosed
WO-2011163518-A1 PYRAZOLO [1, 5 -A] PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2011-12-29 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 (6 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-10131673-B2 Piperidine substituted tricyclic pyrazolo[1,5-a]pyrimidine derivatives with inhibitory activity on the replication of the respiratory syncytial virus (RSV) PIR, ZC3HAV1, MAVS METAP2 3565/4885KMT2A 3461/4885MEN1 4823/4885
US-20120003215-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS METAP2 1647/4885KMT2A 3648/4885MEN1 3578/4885
US-20130164280-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS TYMP, ZC3HAV1, TYMS METAP2 3034/4885KMT2A 3906/4885MEN1 3739/4885
US-10188754-B2 Compositions and methods for chemical exchange saturation transfer (CEST) based magnetic resonance imaging (MRI) GART, SLC43A1, AADAT METAP2 3166/4885KMT2A 904/4885MEN1 2520/4885
US-20180298011-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS METAP2 1647/4885KMT2A 3648/4885MEN1 3578/4885
US-10174038-B2 Compounds and methods for antiviral treatment ZC3HAV1, SARS1, MAVS METAP2 622/4885KMT2A 3849/4885MEN1 2590/4885

“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.