SCHEMBL945897

SCHEMBL945897

COC(=O)c1c(-c2ccc(F)cc2)nc(SC)nc1C(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 3/20 0.55
LMNA P02545 3/20 0.46
DHODH Q02127 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
RXFP1 Q9HBX9 1/20 0.38
MAPK13 O15264 1/20 0.38
ALOX5 P09917 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.38
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 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
SCHEMBL3589 0.87 ALDH1A1 (0.44) GCGRNPC1RAB9AALOX5MAPK14
SCHEMBL10129581 0.86 DHODH (0.44) GCGRDHODHRXFP1ALDH1A1MAPT
SCHEMBL1751791 0.84 GCGR (0.58) GCGRLMNADHODHSMN1; SMN2NPC1
SCHEMBL17613417 0.84 LMNA (0.49) GCGRLMNADHODHSMN1; SMN2NPC1
SCHEMBL14282780 0.84 GCGR (0.58) GCGRLMNADHODHSMN1; SMN2NPC1
SCHEMBL30716573 0.84 GCGR (0.58) GCGRLMNADHODHSMN1; SMN2NPC1
SCHEMBL13916565 0.82 GCGR (0.50) GCGRLMNADHODHSMN1; SMN2RXFP1
SCHEMBL1752471 0.82 GCGR (0.57) GCGRLMNADHODHSMN1; SMN2NPC1
SCHEMBL30414624 0.82 GCGR (0.57) GCGRLMNADHODHSMN1; SMN2NPC1
SCHEMBL1751492 0.82 GCGR (0.57) GCGRLMNADHODHSMN1; SMN2NPC1

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
US-8703944-B2 Method for preparing rosuvastatin calcium intermediate PORTON FINE CHEMICALS LTD. (CN) 2014-04-22 US disclosed
US-20130143908-A1 METHOD FOR PREPARING ROSUVASTATIN CALCIUM INTERMEDIATE PORTON FINE CHEMICALS LTD. (CN) 2013-06-06 US disclosed
US-7872012-B2 Pyrimidinone compounds and preparation and use thereof Zhejiang Hisun Pharma Co., Ltd. (CN) 2011-01-18 US disclosed
US-7872012-B2 Pyrimidinone compounds and preparation and use thereof Zhejiang Hisun Pharma Co., Ltd. (CN) 2011-01-18 US disclosed
EP-1845092-B1 PYRIMIDINONE COMPOUNDS, THEIR PREPARATION AND USE THEREOF YAO HUI (CN) 2010-09-01 EP disclosed
US-20080280930-A1 Pyrimidinone Compounds and Preparation and Use Thereof Yao, Hui (CN) 2008-11-13 US disclosed
US-20080280930-A1 Pyrimidinone Compounds and Preparation and Use Thereof Yao, Hui (CN) 2008-11-13 US disclosed
WO-2008059519-A2 A PROCESS FOR THE PREPARATION OF INTERMEDIATES OF ROSUVASTATIN GLENMARK PHARMACEUTICALS LIMITED (IN) 2008-05-22 WO disclosed
US-7371759-B2 HMG-CoA reductase inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-13 US disclosed
US-7371759-B2 HMG-CoA reductase inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-13 US disclosed
US-20080009622-A1 METHOD FOR PRODUCING PYRIMIDINE COMPOUND AJINOMOTO CO., INC. (JP) 2008-01-10 US disclosed
EP-1849765-A1 METHOD FOR PRODUCING PYRIMIDINE COMPOUND Ajinomoto Co., Inc. (JP) 2007-10-31 EP disclosed
EP-1845092-A1 PYRIMIDINONE COMPOUNDS, THEIR PREPARATION AND USE THEREOF Yao, Hui (CN) 2007-10-17 EP disclosed
WO-2007074391-A2 PREPARATION OF A KEY INTERMEDIATE IN THE SYNTHESIS OF ROSUVASTATIN KHAMAR BAKULESH MAFATLAL (IN) 2007-07-05 WO disclosed
WO-2007074391-A2 PREPARATION OF A KEY INTERMEDIATE IN THE SYNTHESIS OF ROSUVASTATIN KHAMAR BAKULESH MAFATLAL (IN) 2007-07-05 WO disclosed
WO-2004103977-A2 PROCESS FOR THE PREPARATION OF PYRIMIDINE DERIVATIVES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-12-02 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-20080009622-A1 METHOD FOR PRODUCING PYRIMIDINE COMPOUND TYMS, TYMP, UMPS GCGR 3126/4885LMNA 3372/4885DHODH 19/4885
US-20080280930-A1 Pyrimidinone Compounds and Preparation and Use Thereof HMGCR, PSEN1, DHPS GCGR 1827/4885LMNA 769/4885DHODH 26/4885
US-20130143908-A1 METHOD FOR PREPARING ROSUVASTATIN CALCIUM INTERMEDIATE HMGCR, PCSK9, CACNA1E GCGR 3145/4885LMNA 613/4885DHODH 456/4885

“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.